SCHEMBL6500864

SCHEMBL6500864

Cc1ccc(C2(CCO)CCCN(C(=O)Cc3cc(Cl)cc(Cl)c3)C2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
CYP2D6 P10635 2/20 0.45
CCR5 P51681 1/20 0.40
HSD11B1 P28845 1/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR183 P32249 1/20 0.37

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) EPHX2CYP2D6CCR5SLC6A2SLC6A4
SCHEMBL5203851 0.87 HSD11B1 (0.39) CCR5HSD11B1MEN1KMT2ANPC1
SCHEMBL5199609 0.82 TACR2 (0.43) CYP2D6CCR5
Hydrochloric Acid SCHEMBL6492132 0.82 TACR2 (0.42) CYP2D6CCR5
SCHEMBL6494323 0.82 CCR5 (0.37) CCR5MEN1KMT2ANPC1ALDH1A1
SCHEMBL5200438 0.82 SLC6A2 (0.51) CYP2D6CCR5SLC6A2SLC6A4SLC6A3
SCHEMBL5201066 0.80 CCR5 (0.45) CCR5
SCHEMBL7790301 0.80 CCR5 (0.45) CCR5
Hydrochloric Acid SCHEMBL6493645 0.80 CCR5 (0.45) CCR5
SCHEMBL5201742 0.80 SLC6A2 (0.51) CYP2D6CCR5SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX2 2669/4885CYP2D6 1619/4885CCR5 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.