SCHEMBL5200619

SCHEMBL5200619

NC(=O)C1(N2CCN(CCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)Cc4cc(Cl)cc(Cl)c4)C3)CC2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 0.51
TACR1 P25103 11/20 0.51
CCR5 P51681 1/20 0.47
TACR3 P29371 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5200182 0.92 TACR2 (0.52) TACR2TACR1CCR5TACR3
SCHEMBL5199737 0.91 TACR2 (0.49) TACR2TACR1CCR5TACR3
SCHEMBL5200054 0.85 CCR5 (0.51) TACR2TACR1CCR5TACR3
SCHEMBL5199706 0.84 TACR2 (0.52) TACR2TACR1CCR5TACR3CYP3A4
SCHEMBL5201160 0.84 CCR5 (0.52) TACR2TACR1CCR5TACR3
SCHEMBL5200156 0.81 CCR5 (0.52) TACR2TACR1CCR5TACR3CYP3A4
SCHEMBL5201929 0.80 SLC6A2 (0.53) TACR2TACR1CCR5TACR3CYP2D6
Hydrochloric Acid SCHEMBL6490210 0.80 CCR5 (0.52) TACR2TACR1CCR5TACR3CYP3A4
SCHEMBL5201070 0.80 CCR5 (0.49) TACR2TACR1CCR5TACR3CYP3A4
SCHEMBL6664207 0.78 TACR2 (0.43) TACR2TACR1CCR5

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 4 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

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 TACR2 2/4885TACR1 1/4885CCR5 123/4885

“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.