SCHEMBL6484388

SCHEMBL6484388

CCC(CC)Nc1nc2cc(Cl)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.42
KCNH2 Q12809 1/20 0.42
NAMPT P43490 1/20 0.41
TBK1 Q9UHD2 11/20 0.41
PGK1 P00558 1/20 0.41
BACE1 P56817 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL6484396 0.96 OPRL1 (0.46) OPRL1KCNH2NAMPTTBK1OPRM1
SCHEMBL6486948 0.82 NAMPT (0.45) OPRL1KCNH2NAMPTBACE1OPRM1
SCHEMBL6498311 0.80 MAP4K4 (0.44) OPRL1KCNH2NAMPTBACE1OPRM1
Hydrochloric Acid SCHEMBL6496916 0.79 OPRL1 (0.56) OPRL1OPRM1OPRK1
SCHEMBL6496165 0.79 OPRL1 (0.64) OPRL1KCNH2NAMPTOPRM1OPRK1
SCHEMBL6486955 0.78 OPRL1 (0.48) OPRL1KCNH2NAMPTBACE1OPRM1
SCHEMBL6498317 0.76 OPRL1 (0.47) OPRL1KCNH2NAMPTBACE1OPRM1
SCHEMBL6499128 0.76 OPRL1 (0.53) OPRL1KCNH2OPRM1OPRK1
Hydrochloric Acid SCHEMBL6496924 0.75 OPRL1 (0.62) OPRL1KCNH2OPRM1OPRK1
SCHEMBL6483073 0.75 OPRL1 (0.46) OPRL1KCNH2NAMPTBACE1OPRM1

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-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 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 2/4885KCNH2 126/4885NAMPT 4196/4885

“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.