SCHEMBL6301937

SCHEMBL6301937

Cc1cc2nnn(-c3ccccn3)c2cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
NPSR1 Q6W5P4 1/20 0.49
MGAM O43451 3/20 0.44
AMY1A P0DUB6 3/20 0.44
GAA P10253 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL16035881 0.82 RAB9A (0.60) RAB9ASMN1; SMN2TSHRNPC1MAPT
SCHEMBL30355239 0.78 RAB9A (1.00) RAB9ASMN1; SMN2TSHRNPC1MAPT
SCHEMBL678640 0.78 RAB9A (1.00) RAB9ASMN1; SMN2TSHRNPC1MAPT
SCHEMBL15430860 0.77 RAB9A (0.58) RAB9ANPSR1GAASMN1; SMN2TSHR
SCHEMBL23619041 0.77 RAB9A (0.67) RAB9ASMN1; SMN2TSHRKDM4ENPC1
SCHEMBL10452441 0.77 NPC1 (0.58) RAB9ANPSR1MGAMAMY1AGAA
SCHEMBL27314207 0.74 RAB9A (0.54) RAB9ASMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL16036700 0.73 RAB9A (0.71) RAB9ASMN1; SMN2TSHRKDM4ENPC1
SCHEMBL12628808 0.72 KDM4E (0.46) NPSR1SMN1; SMN2TSHRKDM4ENPC1
SCHEMBL18199843 0.68 SMN1; SMN2 (0.55) RAB9AGAASMN1; SMN2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858622-B2 Cycloalkano-indole and -azaindole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-02-22 US disclosed
CN-1183111-C Cycloalkano-indote and againdole derivatives, process for their preparation and pharmaceutical composition containing the same 2005-01-05 CN disclosed
EP-0705831-B1 Cycloalkano-indole- and -azaindole derivatives BAYER AG (DE) 2003-12-03 EP disclosed
US-20030149073-A1 Cycloalkano-indole and -azaindole derivatives MULLER ULRICH (DE) 2003-08-07 US disclosed
US-6479503-B2 SUCH AS 2-(S/R)-2-(4-(2,4-DIMETHYL-5,6,7,8-TETRAHYDRO-ALPHA-CARBOLIN-9-YL)METHYL -PHENYL)-2-CYCLOPENTYL-ACETIC ACID N-((R)PHENYLGLYCINOAMIDE) FOR TREATING ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-20020147209-A1 Cycloalkano-indole and -azaindole derivatives MUELLER ULRICH (DE) 2002-10-10 US disclosed
US-20020055635-A1 Cycloalkano-indole and -azaindole derivatives MULLER ULRICH (DE) 2002-05-09 US disclosed
US-6265431-B1 ANTICHOLESTEROL DRUGS BAYER AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
US-6245775-B1 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
US-5684014-A FOR TREATING ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed
EP-0705831-A2 Cycloalkano-indole- and -azaindole derivatives BAYER AG (DE) 1996-04-10 EP 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-20030149073-A1 Cycloalkano-indole and -azaindole derivatives AADAC, IDO1, AADAT RAB9A 4444/4885NPSR1 760/4885MGAM 1099/4885
US-20020147209-A1 Cycloalkano-indole and -azaindole derivatives AADAC, IDO1, AADAT RAB9A 4444/4885NPSR1 760/4885MGAM 1099/4885
US-20020055635-A1 Cycloalkano-indole and -azaindole derivatives ADRB3, AADAT, INMT RAB9A 3996/4885NPSR1 522/4885MGAM 597/4885

“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.