SCHEMBL3587872

SCHEMBL3587872

O=c1[nH]c2ccccc2n1C1CCN(C2CCCc3c2cccc3C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.58
HSD11B1 P28845 3/20 0.56
CHRM2 P08172 3/20 0.54
CHRM4 P08173 3/20 0.54
CHRM3 P20309 2/20 0.54
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SLC18A3 Q16572 1/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
OPRM1 P35372 2/20 0.49
OPRL1 P41146 2/20 0.49
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
DRD2 P14416 3/20 0.47
CHRM5 P08912 1/20 0.46
ADRA1D P25100 1/20 0.46

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
SCHEMBL3590387 0.87 POLB (0.58) CHRM1HSD11B1CHRM2CHRM4CHRM3
SCHEMBL3593478 0.86 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM3MAPK1
SCHEMBL3594116 0.86 CHRM1 (0.58) CHRM1HSD11B1CHRM2CHRM4CHRM3
SCHEMBL3588514 0.86 CHRM1 (0.58) CHRM1HSD11B1CHRM2CHRM4CHRM3
SCHEMBL3594306 0.85 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3MAPK1
SCHEMBL3589993 0.83 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3MAPK1
SCHEMBL3597780 0.83 SIGMAR1 (0.57) CHRM1HSD11B1CHRM2CHRM4CHRM3
SCHEMBL13343546 0.83 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM3MAPK1
SCHEMBL3595370 0.81 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3MAPK1
SCHEMBL3587909 0.81 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3MAPK1

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 CHRM1 300/4885HSD11B1 1141/4885CHRM2 722/4885

“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.