SCHEMBL97178

SCHEMBL97178

O=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
MAPT P10636 1/20 0.41
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2235526 0.84 NPC1 (0.46) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13930334 0.84 DRD2 (0.46) HTR1AOPRK1MEN1LMNATHRB
SCHEMBL30609062 0.84 DRD2 (0.46) HTR1AOPRK1MEN1LMNATHRB
SCHEMBL3621910 0.78 PARP1 (0.43) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3621915 0.78 PARP1 (0.43) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3593984 0.76 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL427050 0.75 NPC1 (0.43) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL18885726 0.74 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL837526 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54098779-A None JP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN 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
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN 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
US-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 US disclosed
JP-S5498779-A 5-FORMYL CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1979-08-03 JP 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-20060063799-A1 Sulfonamide bicyclic compounds APP, BACE1, IAPP NPC1 491/4885MAPK13 2798/4885MAPK12 2761/4885
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

“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.