SCHEMBL5201126

SCHEMBL5201126

CCc1cc(CC)cc(CC#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2A6 P11509 2/20 0.41
MMP3 P08254 1/20 0.38
ENPP2 Q13822 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
TP53 P04637 1/20 0.32
USP7 Q93009 1/20 0.32
TRPA1 O75762 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAOB P27338 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL12883530 0.91 KDM4E (0.38) KDM4ETDP1CYP2A6MMP3ENPP2
SCHEMBL4756404 0.89 KDM4E (0.37) KDM4ETDP1CYP2A6MMP3ENPP2
SCHEMBL4007007 0.86 KDM4E (0.52) KDM4ETDP1MMP3ENPP2MEN1
SCHEMBL21300469 0.85 ALDH1A1 (0.35) KDM4ETDP1CYP2A6MMP3ENPP2
SCHEMBL25371047 0.84 KDM4E (0.34) KDM4ETDP1CYP2A6MMP3ALDH1A1
SCHEMBL30694818 0.84 KDM4E (0.34) KDM4ETDP1CYP2A6MMP3
SCHEMBL30694807 0.84 KDM4E (0.34) KDM4ETDP1CYP2A6MMP3ALDH1A1
SCHEMBL25370593 0.84 KDM4E (0.34) KDM4ETDP1CYP2A6MMP3
SCHEMBL7196848 0.81 ENPP2 (0.53) KDM4ETDP1CYP2A6MMP3ENPP2
SCHEMBL2600192 0.79 CYP2A6 (0.58) KDM4ETDP1CYP2A6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422160-C Morpholine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2008-10-01 CN disclosed
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
CN-1273463-C (1-phenacyl-3-phenyl-3-piperidinylethyl) piperidine derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2006-09-06 CN disclosed
US-6951940-B2 Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-10-04 US disclosed
EP-1165528-B1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI SYNTHELABO (FR) 2004-09-01 EP 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
US-6506750-B1 N-(phenylacetyl)morpholine derivatives useful as NK1 receptor antagonists, a process for the preparation thereof, and pharmaceutical compositions containing them as active principle. SANOFI-SYNTHELABO (FR) 2003-01-14 US disclosed
CN-1353698-A Novel morpholine derivatives, method for production thereof and pharmaceutical preparations containing said derivatives SANOFI SYNTHELABO (FR) 2002-06-12 CN disclosed
CN-1345317-A (1-phenacy-3-phenyl-3-piperidylethyl)piperidine derivatives, method for production thereof and pharmaceutical compositions containing the same SANOFI SYNTHELABO (FR) 2002-04-17 CN disclosed
EP-1165528-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2002-01-02 EP disclosed
WO-2000058292-A1 NOVEL MORPHOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-10-05 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 KDM4E 1930/4885TDP1 2849/4885CYP2A6 2075/4885

“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.