SCHEMBL2628985

SCHEMBL2628985

Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)c1ccc(CN)c(F)c1)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 19/20 0.51
OXTR P30559 13/20 0.51
AVPR2 P30518 7/20 0.51
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
TSPO P30536 1/20 0.37

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
Hydrochloric Acid SCHEMBL2130209 0.99 AVPR1A (0.50) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL5552272 0.94 AVPR1A (0.47) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2704240 0.91 AVPR1A (0.52) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2703856 0.91 AVPR1A (0.52) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2413918 0.91 AVPR1A (0.46) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2703256 0.90 AVPR1A (0.53) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18944418 0.90 AVPR1A (0.51) AVPR1AOXTRAVPR2CHRM2CHRM4
Hydrochloric Acid SCHEMBL2128256 0.90 AVPR1A (0.51) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2702943 0.90 AVPR1A (0.59) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18944428 0.90 AVPR1A (0.53) AVPR1AOXTRAVPR2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP claimed
EP-2547681-B1 TOSYLATE SALT OF CYCLOPROPANECARBOXYLIC ACID 4-(6-CHLORO-3-METYHL-4,10-DIHYDRO-3H-2,3,4,9-TETRABENZO[F]AZULENE-9-CARBONYL)-2-FLUOROBENZYLAMIDE VANTIA LTD (GB) 2015-09-30 EP claimed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP claimed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP claimed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO claimed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885OXTR 8/4885AVPR2 2/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885OXTR 8/4885AVPR2 2/4885

“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.