SCHEMBL3596759

SCHEMBL3596759

O=c1[nH]c2ccccc2n1C1CCN(C2CCCc3cc(F)ccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CHRM1 P11229 7/20 0.56
CHRM2 P08172 2/20 0.56
CHRM4 P08173 2/20 0.56
CHRM3 P20309 1/20 0.56
DRD2 P14416 5/20 0.54
KCNH2 Q12809 3/20 0.54
SLC18A3 Q16572 1/20 0.53
OPRM1 P35372 4/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
NPY5R Q15761 1/20 0.50
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
DRD3 P35462 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL3583488 0.92 POLB (0.60) POLBHSD17B10CHRM1CHRM2CHRM4
SCHEMBL3585649 0.88 CHRM1 (0.56) POLBHSD17B10CHRM1CHRM2CHRM4
SCHEMBL3595370 0.87 CHRM1 (0.63) POLBHSD17B10CHRM1CHRM2CHRM4
SCHEMBL3584064 0.87 CHRM1 (0.63) POLBHSD17B10CHRM1CHRM2CHRM4
SCHEMBL3587909 0.87 CHRM1 (0.63) POLBHSD17B10CHRM1CHRM2CHRM4
SCHEMBL3585654 0.85 ALDH1A1 (0.61) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL3591112 0.84 CHRM1 (0.65) POLBHSD17B10CHRM1CHRM2CHRM4
SCHEMBL3590387 0.83 POLB (0.58) POLBHSD17B10CHRM1CHRM2CHRM4
SCHEMBL3585479 0.83 POLB (0.58) POLBHSD17B10CHRM1CHRM2CHRM4
SCHEMBL3590307 0.82 CHRM1 (0.56) POLBHSD17B10CHRM1CHRM2CHRM4

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 POLB 3259/4885HSD17B10 1983/4885CHRM1 300/4885

“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.