SCHEMBL3579283

SCHEMBL3579283

O=c1[nH]c2ccccc2n1C1CCN(C2Cc3ccc(F)c4cccc2c34)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.61
OPRK1 P41145 2/20 0.61
OPRL1 P41146 2/20 0.61
OPRD1 P41143 1/20 0.61
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CHRM1 P11229 4/20 0.53
CHRM2 P08172 2/20 0.53
CHRM4 P08173 2/20 0.53
CHRM3 P20309 1/20 0.53
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD11B1 P28845 1/20 0.49
SLC18A3 Q16572 1/20 0.49
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3579279 1.00 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL3597143 0.97 OPRM1 (0.62) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL3597140 0.97 OPRM1 (0.62) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL3589204 0.88 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL3595182 0.88 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL3585135 0.88 OPRM1 (0.61) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL3588439 0.86 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL13343617 0.86 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL3583031 0.86 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1POLB
SCHEMBL3586080 0.85 OPRM1 (0.62) OPRM1OPRK1OPRL1OPRD1POLB

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.