SCHEMBL6493497

SCHEMBL6493497

CN1CCC(Sc2nc3cc(Cl)c(N4CCN(C(=O)OC(C)(C)C)CC4)cc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.52
OPRM1 P35372 8/20 0.52
OPRK1 P41145 8/20 0.52
KCNH2 Q12809 3/20 0.46
NAMPT P43490 1/20 0.41
CHEK2 O96017 1/20 0.39
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL6495147 0.96 OPRL1 (0.57) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6496165 0.81 OPRL1 (0.64) OPRL1OPRM1OPRK1KCNH2NAMPT
SCHEMBL6486948 0.81 NAMPT (0.45) OPRL1OPRM1OPRK1KCNH2NAMPT
Hydrochloric Acid SCHEMBL6528224 0.81 OPRL1 (0.54) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL6488641 0.80 OPRL1 (0.67) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6498311 0.80 MAP4K4 (0.44) OPRL1OPRM1OPRK1KCNH2NAMPT
Hydrochloric Acid SCHEMBL6484181 0.79 OPRL1 (0.66) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6497540 0.79 OPRL1 (0.47) OPRL1OPRM1OPRK1KCNH2NAMPT
SCHEMBL6485066 0.79 OPRL1 (0.55) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6499128 0.79 OPRL1 (0.53) OPRL1OPRM1OPRK1KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-6953792-B2 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2005-10-11 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR OPRL1 2/4885OPRM1 11/4885OPRK1 9/4885

“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.