SCHEMBL4199351

SCHEMBL4199351

O=C(C1CC1)N(Cc1ccccc1)C1CCN(C2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.60
CHRM2 P08172 2/20 0.54
CHRM3 P20309 2/20 0.54
CCR5 P51681 6/20 0.52
KCNH2 Q12809 2/20 0.52

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
SCHEMBL13853358 1.00 OPRM1 (0.60) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL4201650 0.84 OPRM1 (0.60) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL13853361 0.84 OPRM1 (0.60) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL4124844 0.83 OPRM1 (0.70) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL13853360 0.83 OPRM1 (0.53) OPRM1CHRM2CHRM3CCR5
SCHEMBL4197879 0.83 OPRM1 (0.53) OPRM1CHRM2CHRM3CCR5
SCHEMBL13853328 0.80 CCR5 (0.56) OPRM1CCR5KCNH2
SCHEMBL4193616 0.76 OPRM1 (0.70) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL4138032 0.72 CCR5 (0.65) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL4198203 0.71 OPRM1 (0.62) OPRM1CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 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-20090124635-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CCR2 OPRM1 60/4885CHRM2 134/4885CHRM3 127/4885

“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.