SCHEMBL5198010

SCHEMBL5198010

CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCCO)cc1-c1ccccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.73
TACR3 P29371 18/20 0.73

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
SCHEMBL29484533 1.00 TACR1 (0.73) TACR1TACR3
SCHEMBL5779778 0.89 TACR1 (0.69) TACR1TACR3
SCHEMBL5911802 0.89 TACR1 (0.70) TACR1TACR3
SCHEMBL29484509 0.88 TACR1 (0.69) TACR1TACR3
SCHEMBL5783406 0.88 TACR1 (0.67) TACR1TACR3
SCHEMBL5198319 0.88 TACR1 (0.69) TACR1TACR3
SCHEMBL5199251 0.88 TACR1 (0.62) TACR1TACR3
SCHEMBL6796494 0.86 TACR1 (0.64) TACR1TACR3
SCHEMBL5782942 0.85 TACR1 (0.62) TACR1TACR3
SCHEMBL337184 0.85 TACR1 (0.74) TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776117-A1 DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA F.HOFFMANN-LA ROCHE AG (CH) 2007-04-25 EP claimed
US-20060030600-A1 Dual NK1/NK3 receptor antagonists for the treatment of schizophrenia F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US claimed
WO-2006013050-A1 DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO claimed
US-20260014166-A1 NOVEL USES OF DUAL NK-1 /NK-3 RECEPTOR ANTAGONISTS FOR TREATING SEX-HORMONE DISEASES KaNDy Therapeutics Limited (GB) 2026-01-15 US disclosed
CN-114306347-A Dual NK-1/NK-3 receptor antagonists for the treatment of sex hormone dependent diseases 康堤医疗有限公司 2022-04-12 CN disclosed
CN-114306335-A Dual NK-1/NK-3 receptor antagonists for the treatment of sex hormone dependent diseases 康堤医疗有限公司 2022-04-12 CN disclosed
CN-114272242-A Dual NK-1/NK-3 receptor antagonists for the treatment of sex hormone dependent diseases 康堤医疗有限公司 2022-04-05 CN disclosed
US-20210236506-A1 NOVEL USES KaNDy Therapeutics Limited (GB) 2021-08-05 US disclosed
US-20210128574-A1 NOVEL USES KaNDy Therapeutics Limited (GB) 2021-05-06 US disclosed
EP-3574907-A1 AN NK-1/NK-3 RECEPTOR ANTAGONIST FOR THE TREATMENT OF SEX-HORMONE-DEPENDENT DISEASES NeRRe Therapeutics Limited (GB) 2019-12-04 EP disclosed
US-10195205-B2 Uses of dual NK1/NK3 receptor antagonists for treating sex-hormone diseases NERRE THERAPEUTICS LIMITED (GB) 2019-02-05 US disclosed
EP-3297631-A1 DUAL NK-1/NK-3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SEX-HORMONE-DEPENDENT DISEASES NeRRe Therapeutics Limited (GB) 2018-03-28 EP disclosed
WO-2016184829-A1 DUAL NK-1/NK-3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SEX-HORMONE-DEPENDENT DISEASES NERRE THERAPEUTICS LIMITED (GB) 2016-11-24 WO disclosed
US-20160339037-A1 Novel Uses KaNDy Therapeutics Limited (GB) 2016-11-24 US disclosed
EP-1776117-A1 DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA F.HOFFMANN-LA ROCHE AG (CH) 2007-04-25 EP disclosed
US-20060030600-A1 Dual NK1/NK3 receptor antagonists for the treatment of schizophrenia F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013050-A1 DUAL NK1/NK3 ANTAGONISTS AGAINST SCHIZOPHRENIA F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO 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 (6 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-20210236506-A1 NOVEL USES KLKB1, KLK3, KLK1 TACR1 20/4885TACR3 22/4885
US-20260014166-A1 NOVEL USES OF DUAL NK-1 /NK-3 RECEPTOR ANTAGONISTS FOR TREATING SEX-HORMONE DISEASES KISS1R, GPER1, FSHR TACR1 65/4885TACR3 191/4885
US-10195205-B2 Uses of dual NK1/NK3 receptor antagonists for treating sex-hormone diseases KISS1R, KLKB1, KLK3 TACR1 11/4885TACR3 35/4885
US-20160339037-A1 Novel Uses KLKB1, KLK3, KLK1 TACR1 20/4885TACR3 22/4885
US-20060030600-A1 Dual NK1/NK3 receptor antagonists for the treatment of schizophrenia TACR2, TACR1, TAC3 TACR1 2/4885TACR3 6/4885
US-20210128574-A1 NOVEL USES KLKB1, KLK3, KLK1 TACR1 20/4885TACR3 22/4885

“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.