SCHEMBL12067255

SCHEMBL12067255

CC(=O)Nc1ccc(C)cc1N1CCC(n2c(=N)n(Cc3ccccc3Cl)c3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 6/20 0.49
▸ OPRM1 P35372 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL12067691 0.92 C5AR1 (0.47) C5AR1OPRM1ALDH1A1TNFCYP3A4
SCHEMBL12067697 0.92 C5AR1 (0.41) C5AR1OPRM1ALDH1A1TNFMAPT
SCHEMBL12069072 0.91 C5AR1 (0.50) C5AR1OPRM1ALDH1A1TNFCYP3A4
SCHEMBL12069182 0.90 C5AR1 (0.45) C5AR1OPRM1ALDH1A1TNFCYP3A4
SCHEMBL12069057 0.89 C5AR1 (0.46) C5AR1ALDH1A1TNFCYP3A4CYP2D6
SCHEMBL12069187 0.89 C5AR1 (0.44) C5AR1OPRM1ALDH1A1TNFCYP3A4
SCHEMBL12069834 0.85 OPRM1 (0.38) C5AR1OPRM1CACNA1FCHRM2CHRM1
SCHEMBL9982715 0.85 C5AR1 (0.42) C5AR1OPRM1ALDH1A1TNFMAPT
SCHEMBL12069839 0.84 OPRM1 (0.43) C5AR1OPRM1ALDH1A1TNFMAPT
SCHEMBL12069829 0.82 C5AR1 (0.40) C5AR1OPRM1ALDH1A1TNF

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
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

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 956/4885ALDH1A1 320/4885

“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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