SCHEMBL3585876

SCHEMBL3585876

O=c1[nH]c2ncccc2n1C1CCN([C@@H]2Cc3cccc4cccc2c34)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.62
OPRM1 P35372 7/20 0.62
OPRK1 P41145 4/20 0.62
OPRD1 P41143 3/20 0.62
CALCRL Q16602 10/20 0.48
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.45
ADRB2 P07550 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL3585881 1.00 OPRL1 (0.62) OPRL1OPRM1OPRK1OPRD1CALCRL
SCHEMBL2242695 0.83 OPRL1 (0.82) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL2242690 0.83 OPRL1 (0.82) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL2247966 0.83 OPRL1 (0.82) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL3583113 0.83 OPRM1 (0.52) OPRL1OPRM1OPRK1OPRD1CALCRL
SCHEMBL3583109 0.83 OPRM1 (0.52) OPRL1OPRM1OPRK1OPRD1CALCRL
SCHEMBL3585400 0.79 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL3585397 0.79 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL2242800 0.77 OPRL1 (0.63) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL2244929 0.77 OPRL1 (0.63) OPRL1OPRM1OPRK1OPRD1DRD2

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 8 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-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
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
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 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
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 OPRL1 11/4885OPRM1 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.