SCHEMBL16048972

SCHEMBL16048972

Cc1nsc(-c2nnc3n2CCNC3C)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.55
KCNH2 Q12809 11/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
TACR1 P25103 3/20 0.47
CYP2D6 P10635 1/20 0.47
TACR2 P21452 4/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16048971 1.00 TACR3 (0.55) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL14850677 1.00 TACR3 (0.55) TACR3KCNH2CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL14845003 0.99 TACR3 (0.54) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL25267452 0.86 TACR3 (0.50) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL25214663 0.86 TACR3 (0.50) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL25217428 0.86 TACR3 (0.50) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL25218583 0.84 TACR3 (0.48) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL22556645 0.84 TACR3 (0.48) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL22556644 0.84 TACR3 (0.48) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL14850680 0.84 TACR3 (0.48) TACR3KCNH2CYP2C9CYP2C19CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852171-A Non-azolanet Process for the preparation of tam 成都科圣原医药科技有限公司 2024-10-29 CN claimed
US-10065961-B2 Chiral N-acyl-5,6,7,(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof OGEDA SA. (BE) 2018-09-04 US claimed
US-20170029429-A1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF OGEDA SA (BE) 2017-02-02 US claimed
EP-2763992-B9 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, AND METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS EUROSCREEN SA (BE) 2016-08-24 EP claimed
EP-3029042-A1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF Euroscreen S.A. (BE) 2016-06-08 EP claimed
EP-2763992-B1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, AND METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS EUROSCREEN SA (BE) 2016-04-06 EP claimed
US-20140275097-A1 NOVEL CHIRAL N-ACYL-5,6,7(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF OGEDA SA (BE) 2014-09-18 US claimed
EP-4628491-A1 SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF NEUROKININ-3 RECEPTOR ANTAGONISTS Química Sintética, S.A. (ES) 2025-10-08 EP disclosed
CN-118852171-A Non-azolanet Process for the preparation of tam 成都科圣原医药科技有限公司 2024-10-29 CN disclosed
CN-118852171-A Non-azolanet Process for the preparation of tam 成都科圣原医药科技有限公司 2024-10-29 CN disclosed
US-20240228501-A1 IMIDAZOLE-CONTAINING CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE CHANGCHUN GENESCIENCE PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
CN-115260180-B Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-05-28 CN disclosed
EP-4293023-A1 IMIDAZOLE-CONTAINING CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2023-12-20 EP disclosed
US-10065961-B2 Chiral N-acyl-5,6,7,(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof OGEDA SA. (BE) 2018-09-04 US disclosed
US-20170029429-A1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF OGEDA SA (BE) 2017-02-02 US disclosed
US-9475814-B2 Chiral N-acyl-5,6,7(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof EUROSCREEN S.A. (BE) 2016-10-25 US disclosed
EP-2763992-B9 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, AND METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS EUROSCREEN SA (BE) 2016-08-24 EP disclosed
EP-3029042-A1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF Euroscreen S.A. (BE) 2016-06-08 EP disclosed
EP-2763992-B1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, AND METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS EUROSCREEN SA (BE) 2016-04-06 EP disclosed
US-20140275097-A1 NOVEL CHIRAL N-ACYL-5,6,7(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF OGEDA SA (BE) 2014-09-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10065961-B2 Chiral N-acyl-5,6,7,(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof ACKR3, GPR3, TAC3 TACR3 17/4885KCNH2 100/4885CYP2C9 1868/4885
US-20170029429-A1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF ACKR3, GPR3, TAC3 TACR3 15/4885KCNH2 99/4885CYP2C9 1891/4885
US-20140275097-A1 NOVEL CHIRAL N-ACYL-5,6,7(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF ACKR3, GPR3, TAC3 TACR3 17/4885KCNH2 94/4885CYP2C9 2096/4885
US-20240228501-A1 IMIDAZOLE-CONTAINING CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE KISS1R, CYP3A43, SLC6A11 TACR3 182/4885KCNH2 253/4885CYP2C9 304/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.