SCHEMBL4124844

SCHEMBL4124844

O=C(C1CC1)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.70
CHRM2 P08172 3/20 0.62
CHRM3 P20309 3/20 0.62
CCR5 P51681 4/20 0.55
KCNH2 Q12809 1/20 0.55
PKM P14618 1/20 0.52
SIGMAR1 Q99720 1/20 0.51

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 0.83 OPRM1 (0.60) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL4199351 0.83 OPRM1 (0.60) OPRM1CHRM2CHRM3CCR5KCNH2
Hydrochloric Acid SCHEMBL1814858 0.81 OPRM1 (0.62) OPRM1CHRM2CHRM3CCR5SIGMAR1
SCHEMBL4193616 0.80 OPRM1 (0.70) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL4197879 0.80 OPRM1 (0.53) OPRM1CHRM2CHRM3CCR5PKM
SCHEMBL13853360 0.80 OPRM1 (0.53) OPRM1CHRM2CHRM3CCR5PKM
SCHEMBL1220330 0.79 OPRM1 (0.59) OPRM1CHRM2CHRM3KCNH2SIGMAR1
SCHEMBL27815666 0.79 CHRM2 (0.56) OPRM1CHRM2CHRM3PKMSIGMAR1
SCHEMBL3817982 0.79 OPRM1 (0.59) OPRM1CHRM2CHRM3KCNH2SIGMAR1
SCHEMBL14276915 0.78 OPRM1 (0.58) OPRM1CHRM2CHRM3CCR5SIGMAR1

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-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 US disclosed
US-20090124636-A1 CHEMICAL COMPOUNDS PFIZER INC. 2009-05-14 US disclosed
WO-2007116313-A2 PYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE CCR5 RECEPTORS PFIZER LIMITED (GB) 2007-10-18 WO 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-20090124636-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CX3CR1 OPRM1 29/4885CHRM2 269/4885CHRM3 238/4885

“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.