SCHEMBL2960788

SCHEMBL2960788

O=C(Cl)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
CHRNA4 P43681 1/20 0.61
TP53 P04637 1/20 0.61
HTT P42858 3/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.57
AVPR1A P37288 3/20 0.55
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.54
AVPR2 P30518 6/20 0.54
SMO Q99835 2/20 0.52
OPRL1 P41146 1/20 0.50

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
SCHEMBL1458777 0.90 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4TP53
Hydrochloric Acid SCHEMBL2960791 0.89 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL7342820 0.87 KDM4E (0.61) TP53ALDH1A1LMNAGAAKDM4E
SCHEMBL5234812 0.86 GAA (0.61) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL7372274 0.84 TP53 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL7334315 0.81 DHODH (0.68) TP53ALDH1A1LMNAAVPR1APOLB
SCHEMBL2571007 0.80 CHRNB2 (0.73) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL10820021 0.80 TP53 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL7611559 0.80 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4TP53
SCHEMBL8609977 0.79 KDM4E (0.59) TP53ALDH1A1LMNAGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed
EP-1809296-A4 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-03-11 EP disclosed
EP-1809296-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
US-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-01 US disclosed
WO-2006049984-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO disclosed
WO-2006049984-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO disclosed
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 EP disclosed
EP-0915876-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1999-05-19 EP disclosed
WO-1997049707-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed
US-5700796-A USEFUL FOR TREATING CONGESTIVE HEART FAILURE, DISEASE CONDITIONS WITH EXCESS RENAL WATER REABSORPTION AND CONDITIONS WITH INCREASED VASULAR RESISTANCE AND CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-23 US disclosed
EP-0804438-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 EP disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 US disclosed
US-5610156-A USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1997-03-11 US disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 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 (1 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-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists AVPR2, AVPR1B, AVPR1A CHRNB2 455/4885CHRNB4 449/4885CHRNA3 234/4885

“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.