SCHEMBL167408

SCHEMBL167408

Cc1ccc(C2CCCN2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRM2 P08172 5/20 0.45
CHRM1 P11229 5/20 0.45
CHRM5 P08912 5/20 0.45
CHRM3 P20309 5/20 0.45
CHRM4 P08173 4/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
TEAD1 P28347 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL6180379 1.00 MEN1 (0.50) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL31444359 1.00 MEN1 (0.50) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL25491571 0.93 MEN1 (0.44) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL1429842 0.86 MEN1 (0.46) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL31648571 0.86 MEN1 (0.46) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL23891887 0.83 MEN1 (0.48) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL22039422 0.83 MEN1 (0.48) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL31444455 0.83 MEN1 (0.48) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL13741002 0.83 MEN1 (0.48) MEN1KMT2ACHRM2CHRM1CHRM5
SCHEMBL28521137 0.83 MEN1 (0.48) MEN1KMT2ACHRM2CHRM1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 CN disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (2 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 MEN1 2319/4885KMT2A 1882/4885CHRM2 38/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 MEN1 3688/4885KMT2A 1407/4885CHRM2 3953/4885

“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.