SCHEMBL61158

SCHEMBL61158

NCCNC(=O)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
EPHX1 P07099 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL23419143 1.00 NAAA (0.58) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL4678443 0.98 NAAA (0.55) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL4679015 0.94 NAAA (0.50) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL10137145 0.92 NAAA (0.50) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
Oxalic Acid SCHEMBL11649259 0.92 NAAA (0.50) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL4679423 0.89
SCHEMBL22043430 0.89 NAAA (0.56) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL18826979 0.89 NAAA (0.56) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL19273978 0.89 NAAA (0.56) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL13300769 0.88 NAAA (0.64) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8

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
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-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 US disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 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 (5 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 NAAA 2551/4885EPHX1 1399/4885SMN1; SMN2 2870/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R NAAA 2551/4885EPHX1 1399/4885SMN1; SMN2 2870/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 NAAA 3387/4885EPHX1 4256/4885SMN1; SMN2 4091/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R NAAA 1723/4885EPHX1 993/4885SMN1; SMN2 2770/4885
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS SCN5A, KCNH2, CACNA1G NAAA 2566/4885EPHX1 2590/4885SMN1; SMN2 372/4885

“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.