SCHEMBL3594306

SCHEMBL3594306

O=c1[nH]c2ccccc2n1C1CCN(C2CCCc3c(Br)cccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.57
CHRM2 P08172 3/20 0.57
CHRM4 P08173 3/20 0.57
CHRM3 P20309 2/20 0.57
SLC18A3 Q16572 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
DRD2 P14416 2/20 0.51
CHRM5 P08912 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2C P28335 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
OPRM1 P35372 7/20 0.50
OPRK1 P41145 4/20 0.50
OPRL1 P41146 4/20 0.50
OPRD1 P41143 2/20 0.50

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
SCHEMBL3588514 0.89 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL3593478 0.89 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL3594116 0.89 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL3590387 0.88 POLB (0.58) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL13343546 0.87 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL3589993 0.86 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL3597780 0.85 SIGMAR1 (0.57) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL3587872 0.85 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL3595370 0.84 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL3587909 0.84 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3SLC18A3

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 300/4885CHRM2 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.