SCHEMBL14814879

SCHEMBL14814879

CC(=O)Nc1ccc(Cl)cc1N1CC[C@H](n2c(=N)n(Cc3cccc4[nH]ccc34)c3ccccc32)[C@@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GOT1 P17174 5/20 0.38
▸ OPRM1 P35372 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ C5AR1 P21730 2/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ PIK3C2B O00750 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HCRTR1 O43613 2/20 0.31
▸ HCRTR2 O43614 2/20 0.31

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
SCHEMBL14814877 1.00 GOT1 (0.38) GOT1OPRM1OPRK1OPRL1C5AR1
SCHEMBL14814625 0.93 GOT1 (0.36) GOT1OPRM1OPRK1OPRL1BRD4
SCHEMBL14814624 0.93 GOT1 (0.36) GOT1OPRM1OPRK1OPRL1BRD4
SCHEMBL9982900 0.90 GOT1 (0.41) GOT1OPRM1OPRK1OPRL1C5AR1
SCHEMBL14814546 0.85 PIK3C2B (0.35) OPRM1OPRK1OPRL1C5AR1BRD4
SCHEMBL9982697 0.83 GOT1 (0.39) GOT1OPRM1OPRK1OPRL1C5AR1
SCHEMBL12069834 0.82 OPRM1 (0.38) GOT1OPRM1OPRK1OPRL1C5AR1
SCHEMBL14814534 0.81 CCR1 (0.31) KDM4E
SCHEMBL12069849 0.81 KDM4E (0.35) OPRM1C5AR1MAPTKDM4E
SCHEMBL14814584 0.81 KDM4E (0.35) OPRM1C5AR1MAPTKDM4E

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
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

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 GOT1 539/4885OPRM1 956/4885OPRK1 610/4885

“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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