SCHEMBL3595393

SCHEMBL3595393

O=C1CCN(C2CC3CCCc4cccc2c43)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.53
OPRM1 P35372 9/20 0.53
OPRK1 P41145 8/20 0.53
OPRD1 P41143 1/20 0.47
CHRNA7 P36544 1/20 0.42
HTR3B O95264 1/20 0.39
ADRA2A P08913 1/20 0.39
KCNE1 P15382 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
KCNQ1 P51787 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL7007364 0.89 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1CHRNA7
SCHEMBL7534947 0.77 CHRNA7 (0.71) OPRL1OPRM1OPRK1OPRD1CHRNA7
SCHEMBL3591840 0.77 CHRNA7 (0.71) OPRL1OPRM1OPRK1OPRD1CHRNA7
SCHEMBL3591843 0.77 CHRNA7 (0.71) OPRL1OPRM1OPRK1OPRD1CHRNA7
SCHEMBL3583844 0.76 CHRM1 (0.55) OPRL1OPRM1OPRK1OPRD1CHRM3
SCHEMBL3588497 0.76 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3590742 0.74 OPRL1 (0.45) OPRL1OPRM1OPRK1OPRD1CHRNA7
Hydrochloric Acid SCHEMBL7883807 0.74 OPRL1 (0.84) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3592440 0.70 IDO1 (0.41) OPRL1OPRM1OPRK1
SCHEMBL7878455 0.70 CHRNA7 (0.65) OPRL1OPRM1OPRK1OPRD1CHRNA7

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 3 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-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 OPRL1 11/4885OPRM1 55/4885OPRK1 133/4885

“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.