SCHEMBL4959583

SCHEMBL4959583

CCOC(=O)C1Cc2ccccc2N1C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.50
NOTUM Q6P988 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL23343522 1.00 NR1D1 (0.50) NR1D1NOTUMTP53
SCHEMBL433888 0.86 MTNR1A (0.54) NR1D1NOTUM
SCHEMBL23182808 0.85 NPC1 (0.48)
SCHEMBL13068180 0.84 NR1D1 (0.49) NR1D1NOTUMTP53
SCHEMBL17461323 0.84 NR1D1 (0.49) NR1D1NOTUMTP53
SCHEMBL11389554 0.84 NR1D1 (0.49) NR1D1NOTUMTP53
SCHEMBL5847274 0.83 DRD2 (0.48) NOTUM
SCHEMBL5847272 0.83 DRD2 (0.48) NOTUM
SCHEMBL5847276 0.83 DRD2 (0.48) NOTUM
SCHEMBL10743464 0.83 DRD2 (0.49) NR1D1NOTUMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3258925-B1 METHODS AND COMPOSITIONS FOR DECREASING GASTRIC EMPTYING PURDUE PHARMA LP (US) 2023-03-29 EP disclosed
EP-3097078-B1 PYRIDINES AND PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2022-05-25 EP disclosed
EP-3209497-B1 QUATERNARY PHOSPHONIUM COATED SURFACES AND METHODS OF MAKING THE SAME ORTHOBOND INC (US) 2021-04-28 EP disclosed
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
EP-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 EP disclosed
EP-3666274-A1 CARBOXAMIDE DERIVATIVES AND USE THEREOF Purdue Pharma LP (US) 2020-06-17 EP disclosed
EP-3087059-B1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2020-04-29 EP disclosed
EP-3039019-B1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-04-22 EP disclosed
EP-3105217-B1 ISOQUINOLINE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2019-05-29 EP disclosed
US-20180134832-A1 QUATERNARY PHOSPHONIUM COATED SURFACES AND METHODS OF MAKING THE SAME ORTHOBOND INC (US) 2018-05-17 US disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20140249128-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-04 US disclosed
WO-2014096941-A1 CYCLIC SULFONAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-06-26 WO disclosed
WO-2013072758-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-05-23 WO disclosed
US-20120149698-A1 NOUVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 US disclosed
US-4598086-A ANTIDERPRESSANTS; HYPERTENSIVE AGENTS SYNTHELABO, (FR) 1986-07-01 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 (3 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-20140249128-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, SCN2A, SCN2B NR1D1 1648/4885NOTUM 3225/4885TP53 4503/4885
US-20120149698-A1 NOUVEL COMPOUNDS BDKRB2, CALCR, CALCRL NR1D1 801/4885NOTUM 573/4885TP53 2769/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA NR1D1 504/4885NOTUM 3226/4885TP53 3569/4885

“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.