SCHEMBL9982481

SCHEMBL9982481

Cc1cccc(N2CCC(n3c(N)nc4ccccc43)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ C1S P09871 1/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ OPRD1 P41143 3/20 0.42
▸ OPRK1 P41145 3/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ OGFRL1 Q5TC84 2/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41

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
SCHEMBL14826124 0.86 OGFRL1 (0.47) OPRM1OPRD1OPRK1OGFRL1RPS6KB1
SCHEMBL8630899 0.78 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL14827783 0.76 THRB (0.42) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL9982485 0.76 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL2929873 0.74 RPS6KB1 (0.58) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL6196424 0.74 RPS6KB1 (0.58) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL21148134 0.74 RPS6KB1 (0.58) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL6198016 0.74 RPS6KB1 (0.58) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL6196431 0.74 RPS6KB1 (0.58) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL23652406 0.74 KDM4E (0.55) ADORA3ADORA2AADORA1RPS6KB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582681-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 — — EP disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 — — WO disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 — — 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 (1 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-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 DHFR 1901/4885ADORA3 1950/4885ADORA2A 1387/4885

“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.

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