SCHEMBL2237478

SCHEMBL2237478

Cc1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
GSK3B P49841 1/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CTNNB1 P35222 2/20 0.49
WNT3A P56704 2/20 0.49
HSD17B3 P37058 2/20 0.48
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL11796769 0.94 KMT2A (0.58) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL2337097 0.88 KMT2A (0.64) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL9419411 0.87 KMT2A (0.69) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL8402203 0.85 KMT2A (0.67) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL16552778 0.83 KMT2A (0.83) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL2235019 0.82 GSK3B (0.63) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL862889 0.82 NPC1 (0.76) NPC1RAB9AL3MBTL1HSD17B3ALDH1A1
SCHEMBL4839086 0.82 HSD17B3 (0.71) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL3689140 0.81 ALDH1A1 (0.52) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL11277802 0.80 GSK3B (0.64) KMT2AGSK3BNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336698-B2 Process for the production of 2-[4-(cyclopropanecarbonyl)phenyl]-2-methyl-propanenitrile SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2019-07-02 US disclosed
EP-3247699-B1 PROCESS FOR THE PRODUCTION OF 2-[4-(CYCLOPROPANECARBONYL)PHENYL]-2-METHYL-PROPANENITRILE SANOFI AVENTIS DEUTSCHLAND (DE) 2019-05-15 EP disclosed
US-20170369440-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(CYCLOPROPANECARBONYL)PHENYL]-2-METHYL-PROPANENITRILE EUROAPI GERMANY GMBH (DE) 2017-12-28 US disclosed
WO-2016116555-A1 Process for the production of 2-[4-(cyclopropanecarbonyl)phenyl]-2-methyl-propanenitrile SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2016-07-28 WO disclosed
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-9029358-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2015-05-12 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-8633188-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-01-21 US disclosed
US-5171858-A Preparation of certain 5,6-dihydro-8-phenyl-imidazo[1,5-a]pyridines SCHERING A.G. (DE) 1992-12-15 US disclosed
EP-0307814-B1 TETRACYCLIC QUINAZOLINE DERIVATIVES, PREPARATION AND USE BASF Aktiengesellschaft (DE) 1992-04-08 EP disclosed
US-5030636-A Treating psychotic disorders HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5026712-A Novel imidazo[1,5-a]pyridines, useful as cardiovascular and CNS agents SCHERING AG (DE) 1991-06-25 US disclosed
EP-0399159-A2 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-11-28 EP disclosed
EP-0307814-A2 Tetracyclic quinazoline derivatives, preparation and use BASF Aktiengesellschaft (DE) 1989-03-22 EP disclosed
US-4596872-A Imidazo[1,2-a]pyridines, and process for their preparation SCHERING A.G. (DE) 1986-06-24 US disclosed
US-4358457-A ANTICONVULSANTS, ANALGESICS, AND MUSCLE RELAXANTS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-09 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 US disclosed
US-3965257-A DIPHENYL-4-PIPERIDYL-METHANES RICHARDSON-MERRELL INC. (US) 1976-06-22 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-10336698-B2 Process for the production of 2-[4-(cyclopropanecarbonyl)phenyl]-2-methyl-propanenitrile CYP4B1, CYP3A4, CYP4F2 KMT2A 1437/4885GSK3B 3853/4885NPC1 3720/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 KMT2A 1369/4885GSK3B 559/4885NPC1 205/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP KMT2A 870/4885GSK3B 231/4885NPC1 91/4885
US-20170369440-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(CYCLOPROPANECARBONYL)PHENYL]-2-METHYL-PROPANENITRILE CYP4B1, CYP3A4, CYP4F2 KMT2A 1437/4885GSK3B 3853/4885NPC1 3720/4885

“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.