SCHEMBL97660

SCHEMBL97660

N#Cc1cccc2c1CCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
KDM1A O60341 1/20 0.42
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
OPRK1 P41145 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL5439183 0.88 NPC1 (0.38) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1402228 0.84 DRD2 (0.47) MCL1HTR1AOPRK1
SCHEMBL3593984 0.76 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22368762 0.75 MAPT (0.49) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3212830 0.74 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL98299 0.74 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2234486 0.74 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL837526 0.74 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3723532 0.74 SRD5A1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL18885726 0.74 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
EP-2701512-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-05 EP disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
WO-2012148808-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-01 WO disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NPC1 2922/4885MAPK13 1055/4885MAPK12 1147/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NPC1 2922/4885MAPK13 1055/4885MAPK12 1147/4885
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 NPC1 1135/4885MAPK13 1262/4885MAPK12 2104/4885

“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.