SCHEMBL2882677

SCHEMBL2882677

Cc1ccccc1N1CCNC1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.60
CRBN Q96SW2 1/20 0.60
ALOX5 P09917 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ADRB1 P08588 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SCN9A Q15858 1/20 0.46
P2RX7 Q99572 5/20 0.45
MAPT P10636 4/20 0.44
MGLL Q99685 1/20 0.44
AVPR1A P37288 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31058340 0.80 MEN1 (0.49) ALOX5MEN1KMT2ASMN1; SMN2SCN9A
SCHEMBL27761455 0.80 ADRB1 (0.49) DDB1CRBNALOX5MEN1KMT2A
SCHEMBL28510189 0.80 AVPR1A (0.52) DDB1CRBNALOX5MEN1KMT2A
SCHEMBL3957395 0.79 SCN9A (0.47) DDB1CRBNALOX5MEN1KMT2A
SCHEMBL8305765 0.79 NPSR1 (0.46) MEN1KMT2ASMN1; SMN2P2RX7MAPT
SCHEMBL15916282 0.78 SCN9A (0.46) DDB1CRBNALOX5MEN1KMT2A
SCHEMBL6769390 0.78 SCN9A (0.46) DDB1CRBNMEN1KMT2ASMN1; SMN2
SCHEMBL3653056 0.77 ADRB1 (0.54) DDB1CRBNALOX5MEN1KMT2A
SCHEMBL9645786 0.77 ALOX5 (0.61) ALOX5MEN1KMT2ASMN1; SMN2
SCHEMBL22092984 0.77 SCN9A (0.43) DDB1CRBNALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102695546-B Heterocylcic derivatives as inhibitors of glutaminyl cyclase PROBIODRUG AG 2014-09-10 CN claimed
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN claimed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
CN-102695546-B Heterocylcic derivatives as inhibitors of glutaminyl cyclase PROBIODRUG AG 2014-09-10 CN disclosed
CN-102325753-B Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2014-09-10 CN disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
CN-101553474-B Imidazolidinone and imidazolidinone derivatives as 11b-HSD1 inhibitors for diabetes HOFFMANN LA ROCHE 2013-02-27 CN disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 CN disclosed
CN-102695546-A Heterocylcic derivatives as inhibitors of glutaminyl cyclase PROBIODRUG AG 2012-09-26 CN disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
CN-102325753-A Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2012-01-18 CN disclosed
US-20080280919-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2008-11-13 US disclosed
EP-1876174-A1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
US-7279481-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2007-07-19 US disclosed
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
EP-1646613-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed
EP-0060610-A1 Hexahydro-trans- and tetrahydropyridoindole neuroleptic agents PFIZER INC. (US) 1982-09-22 EP disclosed
US-3988345-A HYPOTENSIVE AGENTS; PHOSPHORUS OXYCHLORIDE CHEMIE LINZ AKTIENGESELLSCHAFT (OE) 1976-10-26 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 (4 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-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 DDB1 4340/4885CRBN 1685/4885ALOX5 559/4885
US-20080280919-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F DDB1 1351/4885CRBN 1466/4885ALOX5 3296/4885
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F DDB1 1836/4885CRBN 1344/4885ALOX5 3556/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F DDB1 1836/4885CRBN 1344/4885ALOX5 3556/4885

“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.