SCHEMBL2130122

SCHEMBL2130122

Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CN

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 19/20 0.74
OXTR P30559 13/20 0.74
AVPR2 P30518 7/20 0.74
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD3 P35462 1/20 0.58
OPRK1 P41145 1/20 0.58
TSPO P30536 1/20 0.49

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
SCHEMBL5570643 0.91 AVPR1A (0.65) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917221 0.90 AVPR1A (0.63) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2129142 0.90 AVPR1A (0.61) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2704576 0.90 AVPR1A (0.61) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL5567012 0.90 AVPR1A (0.63) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL9961437 0.89 AVPR1A (0.72) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18944536 0.89 AVPR1A (0.80) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL30046134 0.88 AVPR1A (0.75) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL26185549 0.88 AVPR1A (0.75) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2702943 0.88 AVPR1A (0.59) 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 36 patents — showing the first 20. 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-1416941-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND CHONDROITIN SULFATE Pharmacia Corporation (US) 2004-05-12 EP claimed
WO-2003015799-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND CHONDROITIN SULFATE PHARMACIA CORPORATION (US) 2003-02-27 WO claimed
US-20230330103-A1 NON-PEPTIDE OXYTOCIN RECEPTOR AGONISTS Kinoxis Therapeutics Pty Ltd (AU) 2023-10-19 US disclosed
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL SCRIPPS RESEARCH INST (US) 2017-11-16 US disclosed
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL SCRIPPS RESEARCH INST (US) 2017-11-16 US disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
WO-2014127350-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-21 WO disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
EP-1512687-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2005-03-09 EP disclosed
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 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 (5 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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R AVPR1A 8/4885OXTR 1/4885AVPR2 15/4885
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885OXTR 6/4885AVPR2 1/4885
US-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR AVPR1A 7/4885OXTR 1/4885AVPR2 10/4885
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885OXTR 6/4885AVPR2 1/4885
US-20230330103-A1 NON-PEPTIDE OXYTOCIN RECEPTOR AGONISTS OXTR, AVPR1B, AVPR1A AVPR1A 3/4885OXTR 1/4885AVPR2 5/4885

“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.