SCHEMBL4168728

SCHEMBL4168728

O=C(Cc1ccccc1)[N]CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.45
CES2 O00748 1/20 0.45
AKR1B1 P15121 1/20 0.45
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.44
TACR3 P29371 1/20 0.42
CTBP2 P56545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2C19 P33261 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL8393426 0.83 CES1 (0.42) CES1CES2AKR1B1LMNAEPHX2
SCHEMBL8393807 0.80 HDAC3 (0.44) CES1CES2AKR1B1LMNAEPHX2
SCHEMBL8395347 0.77 CNR1 (0.45) CES1CES2AKR1B1LMNAEPHX2
SCHEMBL8395275 0.77 CNR1 (0.47) CES1CES2AKR1B1LMNAEPHX2
SCHEMBL8393835 0.76 CNR1 (0.49) LMNAEPHX2ALDH1A1GLAHPGD
SCHEMBL8396649 0.76 CNR1 (0.49) LMNAEPHX2ALDH1A1GLAHPGD
SCHEMBL8013340 0.75 CES1 (0.54) CES1CES2AKR1B1LMNAEPHX2
SCHEMBL8396531 0.74 CNR1 (0.46) LMNAEPHX2ALDH1A1GLAHPGD
SCHEMBL8394918 0.74 CNR1 (0.43) CES1CES2AKR1B1LMNAEPHX2
SCHEMBL8391948 0.74 CES1 (0.48) CES1CES2AKR1B1LMNAEPHX2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 US disclosed
US-7423172-B2 Tyrosine derivatives as PPAR-γ-modulators LABORATORIOS SALVAT, S.A. (ES) 2008-09-09 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 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 (4 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CES1 704/4885CES2 369/4885AKR1B1 1130/4885
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 CES1 667/4885CES2 1150/4885AKR1B1 1209/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CES1 704/4885CES2 369/4885AKR1B1 1130/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R CES1 336/4885CES2 279/4885AKR1B1 715/4885

“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.