SCHEMBL6760377

SCHEMBL6760377

NC(=O)c1cc(Cl)cnc1OCC(=O)N1[C@@H]2CC[C@H]1CC(Oc1ccc(F)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.40
OPRK1 P41145 8/20 0.40
OPRM1 P35372 5/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
NAAA Q02083 1/20 0.38
HCRTR2 O43614 4/20 0.37
HCRTR1 O43613 3/20 0.37
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
IP6K1 Q92551 1/20 0.37
SCN9A Q15858 1/20 0.36
OPRD1 P41143 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL6760380 1.00 KCNH2 (0.40) KCNH2OPRK1OPRM1GRIN1GRIN2B
SCHEMBL6761297 0.89 HCRTR2 (0.40) KCNH2OPRK1OPRM1GRIN1GRIN2B
SCHEMBL6761301 0.89 HCRTR2 (0.40) KCNH2OPRK1OPRM1GRIN1GRIN2B
SCHEMBL6761285 0.87 PTGER4 (0.40) GRIN1GRIN2BNAAAHCRTR2HCRTR1
SCHEMBL6761282 0.87 PTGER4 (0.40) GRIN1GRIN2BNAAAHCRTR2HCRTR1
SCHEMBL6763114 0.86 CCR1 (0.40) KCNH2OPRK1OPRM1GRIN1GRIN2B
SCHEMBL6763101 0.86 CCR1 (0.40) KCNH2OPRK1OPRM1GRIN1GRIN2B
SCHEMBL6999933 0.86 MEN1 (0.37) KCNH2OPRK1OPRM1HCRTR2HCRTR1
SCHEMBL6156258 0.86 CCR1 (0.43) KCNH2OPRK1OPRM1HCRTR2HCRTR1
SCHEMBL6156266 0.86 CCR1 (0.43) KCNH2OPRK1OPRM1HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US claimed
US-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US 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-20040063688-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 KCNH2 1989/4885OPRK1 57/4885OPRM1 77/4885

“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.