SCHEMBL90846

SCHEMBL90846

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPY5R Q15761 1/20 0.47
LMNA P02545 3/20 0.39
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
BTK Q06187 1/20 0.35
KMT2A Q03164 2/20 0.35
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
TSHR P16473 3/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
SELL P14151 2/20 0.33
SELP P16109 2/20 0.33
SELE P16581 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL2884413 1.00 ALDH1A1 (0.50) ALDH1A1NPY5RLMNACA12CA7
SCHEMBL594952 1.00 ALDH1A1 (0.50) ALDH1A1NPY5RLMNACA12CA7
SCHEMBL90843 0.85 NPY5R (0.47) ALDH1A1NPY5RLMNACA12CA7
SCHEMBL12048931 0.84 CA12 (0.50) ALDH1A1NPY5RLMNACA12CA7
SCHEMBL12836912 0.84 NPY5R (0.46) ALDH1A1NPY5RLMNACA12CA7
SCHEMBL2879823 0.83 ALDH1A1 (0.46) ALDH1A1NPY5RLMNACA12CA7
SCHEMBL2901646 0.82 NPY5R (0.45) ALDH1A1NPY5RCA12CA7CA14
SCHEMBL2901644 0.82 NPY5R (0.45) ALDH1A1NPY5RCA12CA7CA14
SCHEMBL2898453 0.82 NPY5R (0.45) ALDH1A1NPY5RCA12CA7CA14
SCHEMBL90832 0.81 NPY5R (0.50) ALDH1A1NPY5RCA12CA7CA14

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 72 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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8344180-B2 Hydrazine amide derivative SHIONOGI & CO., LTD. (JP) 2013-01-01 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 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-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
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 (2 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 ALDH1A1 4558/4885NPY5R 1/4885LMNA 1925/4885
US-20050222255-A1 Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative ACMSD, AADAT, AAAS ALDH1A1 439/4885NPY5R 4669/4885LMNA 665/4885

“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.