SCHEMBL4197879

SCHEMBL4197879

O=C(C1CC1)N(Cc1ccccc1)C1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.53
CHRM2 P08172 2/20 0.49
CHRM3 P20309 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
CCR5 P51681 1/20 0.44
GRIN2B Q13224 1/20 0.44
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13853360 1.00 OPRM1 (0.53) OPRM1CHRM2CHRM3MEN1KMT2A
SCHEMBL13853358 0.83 OPRM1 (0.60) OPRM1CHRM2CHRM3CCR5
SCHEMBL4199351 0.83 OPRM1 (0.60) OPRM1CHRM2CHRM3CCR5
SCHEMBL4193608 0.80 MEN1 (0.52) OPRM1MEN1KMT2ALMNACCR5
SCHEMBL13853362 0.80 MEN1 (0.52) OPRM1MEN1KMT2ALMNACCR5
SCHEMBL4201992 0.80 CCR5 (0.53) OPRM1MEN1KMT2ACCR5
SCHEMBL13853364 0.80 CCR5 (0.53) OPRM1MEN1KMT2ACCR5
SCHEMBL4124844 0.80 OPRM1 (0.70) OPRM1CHRM2CHRM3CCR5PKM
SCHEMBL7242578 0.79 FUCA1 (0.50) OPRM1S1PR1S1PR5KDM4EGRIN2B
SCHEMBL3527474 0.75 GRIN2B (0.45) OPRM1S1PR1S1PR5KDM4EGRIN2B

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.