SCHEMBL2901646

SCHEMBL2901646

COC(=O)C1CCC(NS(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
POLB P06746 1/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL2898453 1.00 NPY5R (0.45) NPY5RTP53SMN1; SMN2CHRNB2CHRNA4
SCHEMBL2901644 1.00 NPY5R (0.45) NPY5RTP53SMN1; SMN2CHRNB2CHRNA4
SCHEMBL2886966 0.84 ALDH1A1 (0.44) NPY5RPOLBALDH1A1MAPT
SCHEMBL2886058 0.84 ALDH1A1 (0.44) NPY5RPOLBALDH1A1MAPT
SCHEMBL90843 0.82 NPY5R (0.47) NPY5RSMN1; SMN2POLBALDH1A1HSD17B10
SCHEMBL90846 0.82 ALDH1A1 (0.50) NPY5RSMN1; SMN2ALDH1A1HSD17B10CA12
SCHEMBL594952 0.82 ALDH1A1 (0.50) NPY5RSMN1; SMN2ALDH1A1HSD17B10CA12
SCHEMBL2884413 0.82 ALDH1A1 (0.50) NPY5RSMN1; SMN2ALDH1A1HSD17B10CA12
SCHEMBL12048931 0.81 CA12 (0.50) NPY5RSMN1; SMN2ALDH1A1HPGDCA12
SCHEMBL12836912 0.81 NPY5R (0.46) NPY5RSMN1; SMN2ALDH1A1HSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411355-B1 PROCESS FOR THE PREPARATION OF TRANS-4-AMINO-1-CYCLOHEXANECARBOXYLIC ACID SIEGFRIED AG (CH) 2020-10-28 EP disclosed
WO-2017134212-A1 PROCESS FOR THE PREPARATION OF TRANS-4-AMINO-1-CYCLOHEXANECARBOXILIC ACID AND ITS DERIVATIVES SIEGFRIED AG (CH) 2017-08-10 WO disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
CN-101104598-B Process for preparing trans-4-amino-1-cyclohexanecarboxilic acid derivatives SHIONOGI & CO 2011-06-15 CN disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
CN-1821217-B Process for producing trans-4-amino-1-cyclohexanecarboxylic acid derivative SHIONOGI & CO 2010-09-29 CN disclosed
US-7795471-B2 Process for trans-4-amino-1-cyclohexanecarboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 2010-09-14 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7314950-B2 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative SHIONOGI & CO., LTD. (JP) 2008-01-01 US disclosed
US-7314950-B2 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative SHIONOGI & CO., LTD. (JP) 2008-01-01 US disclosed
US-7314950-B2 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative SHIONOGI & CO., LTD. (JP) 2008-01-01 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
CN-1821217-A Process for producing trans-4-amino-1-cyclohexanecarboxylic acid derivative SHIONOGI & CO (JP) 2006-08-23 CN disclosed
US-20050222255-A1 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative SHIONOGI & CO., LTD. (JP) 2005-10-06 US disclosed
CN-1639096-A Process for producing trans-4-amino-1-cyclohexanecarboxylic acid derivative SHIONOGI & CO (JP) 2005-07-13 CN disclosed
EP-1484301-A1 PROCESS FOR PRODUCING trans-4-AMINO-1-CYCLOHEXANECARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-12-08 EP 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R NPY5R 1/4885TP53 4449/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885TP53 4417/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885TP53 4486/4885SMN1; SMN2 2251/4885
US-20050222255-A1 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative ACMSD, AADAT, AAAS NPY5R 4669/4885TP53 2564/4885SMN1; SMN2 2681/4885

“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.