SCHEMBL4515972

SCHEMBL4515972

NCC[N]C(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
EPHX1 P07099 2/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD11B1 P28845 2/20 0.31
RECQL P46063 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL4678441 0.98 CES2 (0.37) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL4679013 0.94 CES2 (0.32) CES2CES1
SCHEMBL4679421 0.89
SCHEMBL9238982 0.83 CES2 (0.44) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL7303987 0.79 CES2 (0.41) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL7549543 0.77 NOS2 (0.39) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL8386944 0.77 NAAA (0.38) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL7299667 0.76 NAAA (0.46) CES2CES1EPHX1
SCHEMBL7312858 0.75 NAAA (0.49) CES2CES1EPHX1
SCHEMBL7331382 0.74 CES2 (0.44) CES2CES1HDAC8HDAC6ALDH1A1

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 23 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
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
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP 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 (3 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 CES2 369/4885CES1 704/4885HDAC8 818/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CES2 369/4885CES1 704/4885HDAC8 818/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R CES2 279/4885CES1 336/4885HDAC8 990/4885

“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.