SCHEMBL3592740

SCHEMBL3592740

COc1cccc2c1C(N1CCC(n3c(=O)[nH]c4ccccc43)CC1)CCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CHRM2 P08172 3/20 0.54
CHRM4 P08173 3/20 0.54
CHRM1 P11229 3/20 0.54
CHRM3 P20309 2/20 0.54
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 2/20 0.52
HSD11B1 P28845 3/20 0.52
TSHR P16473 1/20 0.52
SLC18A3 Q16572 1/20 0.51
OPRM1 P35372 3/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRM5 P08912 1/20 0.48
ABL1 P00519 1/20 0.48

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
SCHEMBL3585479 0.85 POLB (0.58) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3597780 0.85 SIGMAR1 (0.57) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3590503 0.82 OPRM1 (0.59) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3585654 0.82 ALDH1A1 (0.61) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3584064 0.81 CHRM1 (0.63) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3595370 0.81 CHRM1 (0.63) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3587909 0.81 CHRM1 (0.63) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3586969 0.81 CHRM1 (0.58) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3590922 0.80 ALDH1A1 (0.61) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3583844 0.80 CHRM1 (0.55) ALDH1A1CHRM2CHRM4CHRM1CHRM3

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
EP-2128154-B1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-08 EP 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-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

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 ALDH1A1 63/4885CHRM2 722/4885CHRM4 527/4885

“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.