SCHEMBL5201742

SCHEMBL5201742

CCc1cc(CC)cc(CC(=O)N2CCCC(CCO)(c3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 4/20 0.51
CYP2D6 P10635 1/20 0.51
CCR5 P51681 1/20 0.46
TACR2 P21452 2/20 0.46
TACR1 P25103 2/20 0.46
TACR3 P29371 1/20 0.45

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
SCHEMBL5200438 0.90 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL5201929 0.90 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL5199616 0.87 CCR5 (0.42) SLC6A2SLC6A4SLC6A3CCR5TACR2
SCHEMBL5201454 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL8365447 0.85 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL27501771 0.83 TACR2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6TACR2
SCHEMBL5203958 0.82 TACR2 (0.51) CYP2D6CCR5TACR2TACR1TACR3
SCHEMBL8593197 0.82 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL7956505 0.81 TACR2 (0.65) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL5199729 0.80 CCR5 (0.52) CYP2D6CCR5TACR2TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150970-B1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2007-08-22 EP disclosed
US-6951940-B2 Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-10-04 US disclosed
US-20040072840-A1 Novel piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-04-15 US disclosed
US-6642233-B1 Strong affinity and high selectivity for the human NK1 receptors of substance P. SANOFI-SYNTHELABO (FR) 2003-11-04 US disclosed
EP-1150970-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2001-11-07 EP disclosed
WO-2000047572-A1 (1-PHENACY-3-PHENYL-3-PIPERIDYLETHYL)PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2000-08-17 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-20040072840-A1 Novel piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them TACR1, TACR2, KCNJ11 SLC6A2 1874/4885SLC6A4 1027/4885SLC6A3 1159/4885

“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.