SCHEMBL3592440

SCHEMBL3592440

NC1CC2CCCc3cccc1c32

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
OPRM1 P35372 3/20 0.38
OPRK1 P41145 3/20 0.38
OPRL1 P41146 3/20 0.38

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
SCHEMBL3600888 0.79 IDO1 (0.41) IDO1OPRM1OPRK1OPRL1
SCHEMBL11294134 0.76 PLAU (0.43)
SCHEMBL3584265 0.75 IDO1 (0.42) IDO1
SCHEMBL829452 0.75 TSHR (0.43)
Hydrochloric Acid SCHEMBL10838631 0.75 PLAU (0.42)
SCHEMBL3598781 0.73 DRD2 (0.35)
SCHEMBL18937551 0.72 IDO1 (0.45) IDO1OPRM1OPRK1OPRL1
SCHEMBL18937552 0.72 OPRM1 (0.43) IDO1OPRM1OPRK1OPRL1
SCHEMBL10837977 0.72 HTR6 (0.43) IDO1OPRM1OPRK1OPRL1
SCHEMBL30739530 0.71 TSHR (0.40)

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-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 EP 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 IDO1 1263/4885OPRM1 55/4885OPRK1 133/4885

“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.