SCHEMBL2571007

SCHEMBL2571007

O=C(Cl)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.73
CHRNB4 P30926 3/20 0.73
CHRNA3 P32297 3/20 0.73
CHRNA4 P43681 3/20 0.73
ALDH1A1 P00352 2/20 0.64
GAA P10253 2/20 0.63
POLB P06746 1/20 0.63
TP53 P04637 1/20 0.59
PLAU P00749 1/20 0.56
PLAT P00750 1/20 0.56
HTT P42858 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55
AVPR2 P30518 1/20 0.53
OXTR P30559 1/20 0.53
AVPR1A P37288 1/20 0.53
KDM4E B2RXH2 1/20 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
SCHEMBL2571393 0.88 CHRNB2 (0.78) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1017796 0.85 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL7611559 0.84 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
Hydrochloric Acid SCHEMBL29598779 0.84 CHRNB2 (0.96) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL4112067 0.82 GAA (0.72) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL94735 0.81 CHRNB2 (0.78) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL29201497 0.81 CHRNB2 (0.78) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL29970845 0.81 CHRNB2 (0.78) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL7863451 0.81 CHRNB2 (0.78) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6631304 0.80 CHRNB2 (0.89) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078022-B1 SPIRO BENZAZEPINES USED AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-09 EP disclosed
US-7825111-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825110-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7691844-B2 Nonpeptide substituted spirobenzoazepines as vasopressin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-04-06 US disclosed
EP-2078022-A1 SPIRO BENZAZEPINES USED AS VASOPRESSIN ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-07-15 EP disclosed
EP-2076517-A1 SPIRO BENZAZEPINES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-08 EP disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 US disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 US disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 US disclosed
WO-2008154347-A1 SPIROBENZOAZEPINES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 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
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
WO-1996022295-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
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 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-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES REN, AVPR1B, WNK1 CHRNB2 2055/4885CHRNB4 1382/4885CHRNA3 2545/4885

“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.