SCHEMBL9982494

SCHEMBL9982494

CC(=O)Nc1ccc(Cl)nc1N1CCC(n2c(=N)n(Cc3ccccc3Cl)c3ccc(F)cc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.40
▸ TNF P01375 2/20 0.39
▸ C5AR1 P21730 2/20 0.39
▸ DPP4 P27487 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ MOK Q9UQ07 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9982661 0.94 C5AR1 (0.41) OPRM1TNFC5AR1DPP4CHRM4
SCHEMBL12069839 0.87 OPRM1 (0.43) OPRM1TNFC5AR1ALDH1A1NPSR1
SCHEMBL9982715 0.86 C5AR1 (0.42) OPRM1TNFC5AR1ALDH1A1NPSR1
SCHEMBL12067697 0.86 C5AR1 (0.41) OPRM1TNFC5AR1ALDH1A1
SCHEMBL14826279 0.84 TNF (0.37) TNFC5AR1DPP4ALDH1A1MCHR1
SCHEMBL12069829 0.84 C5AR1 (0.40) OPRM1TNFC5AR1ALDH1A1
SCHEMBL14827776 0.81 C5AR1 (0.47) OPRM1C5AR1DPP4
SCHEMBL12069194 0.80 GPR6 (0.40) OPRM1C5AR1ALDH1A1GLAMAPK1
SCHEMBL9983080 0.79 C5AR1 (0.43) OPRM1C5AR1DPP4ALDH1A1NPSR1
SCHEMBL12069849 0.78 KDM4E (0.35) OPRM1TNFC5AR1DPP4ALDH1A1

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 6 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
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US 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 OPRM1 956/4885TNF 1274/4885C5AR1 1212/4885

“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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