SCHEMBL9982749

SCHEMBL9982749

Cc1ccc([N+](=O)[O-])c(N2CCC(n3c(=N)n(Cc4ccccc4Cl)c4ccc(F)cc43)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 4/20 0.42
▸ OPRM1 P35372 6/20 0.41
▸ P2RX7 Q99572 1/20 0.38
▸ DPP4 P27487 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL14827776 0.89 C5AR1 (0.47) C5AR1OPRM1P2RX7DPP4CHRM1
SCHEMBL9983080 0.86 C5AR1 (0.43) C5AR1OPRM1P2RX7DPP4ALDH1A1
SCHEMBL9982661 0.83 C5AR1 (0.41) C5AR1OPRM1P2RX7DPP4MAPT
SCHEMBL9982494 0.77 OPRM1 (0.40) C5AR1OPRM1DPP4ALDH1A1CYP3A4
SCHEMBL9982680 0.76 C5AR1 (0.49) C5AR1OPRM1MITFMAPTKMT2A
SCHEMBL9982482 0.74 OPRM1 (0.48) C5AR1OPRM1ALDH1A1CHRM1
SCHEMBL12069839 0.74 OPRM1 (0.43) C5AR1OPRM1P2RX7MAPTKMT2A
SCHEMBL14826279 0.74 TNF (0.37) C5AR1P2RX7DPP4MAPTALDH1A1
SCHEMBL12067697 0.73 C5AR1 (0.41) C5AR1OPRM1P2RX7MAPTALDH1A1
SCHEMBL9982783 0.73 MAPT (0.45) C5AR1OPRM1MAPTKMT2AALDH1A1

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 3 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

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 C5AR1 1212/4885OPRM1 956/4885P2RX7 1245/4885

“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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