SCHEMBL5201454

SCHEMBL5201454

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC(CCO)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 4/20 0.49
CYP2D6 P10635 2/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR5 P51681 1/20 0.44
EPHX2 P34913 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TACR2 P21452 2/20 0.43
TACR1 P25103 2/20 0.43
TACR3 P29371 1/20 0.42

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
SCHEMBL5201929 0.88 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL5203971 0.87 MEN1 (0.43) CYP2D6MEN1KMT2ACCR5EPHX2
SCHEMBL5201742 0.86 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL5200438 0.86 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL9029048 0.86 TACR2 (0.42) CYP2D6CCR5USP2GLACYP3A4
SCHEMBL9026960 0.86 TACR2 (0.42) CYP2D6CCR5USP2GLACYP3A4
SCHEMBL3980158 0.84 EPHX2 (0.42) CCR5EPHX2TACR2TACR1
SCHEMBL3979446 0.84 TACR1 (0.44) CYP2D6CCR5CYP3A4TACR2TACR1
SCHEMBL8365447 0.83 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6CCR5
SCHEMBL9027646 0.83 TACR2 (0.42) MEN1KMT2ACCR5TACR2TACR1

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 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.