SCHEMBL16115665

SCHEMBL16115665

Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)cc2)C3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 1.00
KCNH2 Q12809 5/20 1.00
CYP2C9 P11712 3/20 0.81
CYP2C19 P33261 3/20 0.81
TACR1 P25103 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP3A4 P08684 1/20 0.52
TACR2 P21452 3/20 0.52

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
SCHEMBL25607011 0.90 TACR3 (0.82) TACR3KCNH2CYP2C9CYP2C19TACR1
SCHEMBL16116207 0.89 TACR3 (1.00) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL19368061 0.89 TACR3 (0.80) TACR3KCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL25606683 0.89 TACR3 (0.84) TACR3KCNH2CYP2C9CYP2C19TACR1
SCHEMBL16114822 0.88 TACR3 (1.00) TACR3KCNH2CYP2C9CYP2C19TACR1
SCHEMBL19368056 0.88 TACR3 (0.78) TACR3KCNH2CYP2C9CYP2C19TACR1
SCHEMBL16114849 0.87 TACR3 (1.00) TACR3KCNH2CYP2C9CYP2C19TACR1
SCHEMBL16115358 0.86 TACR3 (1.00) TACR3KCNH2CYP2C9CYP2C19TACR1
SCHEMBL25606696 0.83 TACR3 (0.71) TACR3KCNH2CYP2C9CYP2C19TACR1
SCHEMBL22578563 0.83 TACR3 (0.88) TACR3KCNH2CYP2C9CYP2C19TACR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978766-B1 N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 OGEDA SA (BE) 2018-12-19 EP claimed
US-20180237446-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 OGEDA SA (BE) 2018-08-23 US claimed
EP-2978766-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 Euroscreen S.A. (BE) 2016-02-03 EP claimed
WO-2014154896-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 EUROSCREEN SA (BE) 2014-10-02 WO claimed
EP-4190784-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-06-07 EP disclosed
EP-2978766-B1 N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 OGEDA SA (BE) 2018-12-19 EP disclosed
US-20180237446-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 OGEDA SA (BE) 2018-08-23 US disclosed
US-9969738-B2 N-acyl-(3-substituted)-5,6,7,8-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 OGEDA SA (BE) 2018-05-15 US disclosed
US-9969738-B2 N-acyl-(3-substituted)-5,6,7,8-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 OGEDA SA (BE) 2018-05-15 US disclosed
US-20160304521-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 OGEDA SA (BE) 2016-10-20 US disclosed
US-20160304521-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 OGEDA SA (BE) 2016-10-20 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 (2 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-20180237446-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 KCNK3, GPR3, ACKR3 TACR3 21/4885KCNH2 77/4885CYP2C9 2678/4885
US-20160304521-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-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 KCNK3, GPR3, ACKR3 TACR3 21/4885KCNH2 77/4885CYP2C9 2678/4885

“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.