SCHEMBL3589481

SCHEMBL3589481

N#Cc1ccc2cccc3c2c1CC3N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.59
OPRK1 P41145 2/20 0.59
OPRL1 P41146 2/20 0.59
OPRD1 P41143 1/20 0.59
CHRM1 P11229 6/20 0.55
CHRM2 P08172 3/20 0.51
CHRM4 P08173 3/20 0.51
CHRM3 P20309 2/20 0.51
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC18A3 Q16572 1/20 0.48
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
CHRM5 P08912 1/20 0.43

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
SCHEMBL3579081 0.87 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL3588848 0.87 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL3585086 0.87 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL3587343 0.85 OPRM1 (0.59) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL3594105 0.84 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL3588439 0.84 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL2247966 0.83 OPRL1 (0.82) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL2242690 0.83 OPRL1 (0.82) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL2242695 0.83 OPRL1 (0.82) OPRM1OPRK1OPRL1OPRD1CHRM1
SCHEMBL3589993 0.83 CHRM1 (0.59) OPRM1OPRK1OPRL1OPRD1CHRM1

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 OPRM1 55/4885OPRK1 133/4885OPRL1 11/4885

“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.