SCHEMBL5232976

SCHEMBL5232976

CCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 1.00
RAB9A P51151 5/20 1.00
ALDH1A1 P00352 5/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
NPC1 O15118 4/20 1.00
GAA P10253 3/20 1.00
POLB P06746 1/20 0.74
PKM P14618 1/20 0.74
MAPT P10636 1/20 0.71
MAPK1 P28482 1/20 0.71
HPGD P15428 1/20 0.62
LMNA P02545 1/20 0.61
MAOA P21397 1/20 0.60
FFAR1 O14842 1/20 0.58

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
SCHEMBL30539412 0.86 ALDH1A1 (0.76) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL28665987 0.86 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL9645453 0.85 ALDH1A1 (0.81) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL15183729 0.85 RAB9A (1.00) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL4724997 0.84 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL10943445 0.83 RAB9A (0.88) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL5879030 0.83 RAB9A (0.88) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL14855964 0.83 SMN1; SMN2 (0.80) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL533802 0.82 RAB9A (0.70) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL10939388 0.82 SMN1; SMN2 (0.91) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
CN-1056374-C Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 2000-09-13 CN disclosed
US-5968930-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5968937-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5889001-A TREATING CONDITIONS WHERE DECREASED VASOPRESSIN LEVELS ARE DESIRED AND DISEASES WITH EXCESS RENAL WATER REABSORPTION AMERICAN CYANAMID COMPANY (US) 1999-03-30 US disclosed
US-5869483-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1999-02-09 US disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
WO-1996022295-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1996-11-14 WO disclosed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS 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-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 US disclosed
CN-1106812-A Tricyclic diaza * vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 CN disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 EP 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-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 SMN1; SMN2 925/4885RAB9A 850/4885ALDH1A1 2561/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 SMN1; SMN2 925/4885RAB9A 850/4885ALDH1A1 2561/4885

“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.