SCHEMBL5203971

SCHEMBL5203971

O=CCC1(c2ccc(Cl)c(Cl)c2)CCCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
GLA P06280 1/20 0.40
CCR5 P51681 1/20 0.40
TACR1 P25103 2/20 0.40
TACR2 P21452 1/20 0.39
CNR1 P21554 1/20 0.39
EPHX2 P34913 2/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5200172 0.88 CCR5 (0.42) KMT2ACYP2D6CCR5TACR1TACR2
SCHEMBL5201454 0.87 SLC6A2 (0.49) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL5200127 0.86 CCR5 (0.44) CYP3A4CYP2D6CCR5TACR1TACR2
SCHEMBL5199616 0.86 CCR5 (0.42) CCR5TACR1TACR2
SCHEMBL9029048 0.81 TACR2 (0.42) CYP3A4CYP2D6TSHRUSP2GLA
SCHEMBL9026960 0.81 TACR2 (0.42) CYP3A4CYP2D6TSHRUSP2GLA
SCHEMBL6952753 0.81 KMT2A (0.43) MEN1KMT2AUSP2TACR1CNR1
SCHEMBL3979446 0.79 TACR1 (0.44) CYP3A4CYP2D6CCR5TACR1TACR2
SCHEMBL3980158 0.79 EPHX2 (0.42) CCR5TACR1TACR2CNR1EPHX2
SCHEMBL9027646 0.79 TACR2 (0.42) MEN1KMT2ACCR5TACR1TACR2

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 MEN1 3715/4885KMT2A 2903/4885CYP3A4 1162/4885

“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.