SCHEMBL1256540

SCHEMBL1256540

CC(C)C(C)(C(=O)NCCc1ccccn1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
HTT P42858 2/20 0.55
CYP1A2 P05177 2/20 0.55
ATM Q13315 1/20 0.54
CYP2C19 P33261 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CNR1 P21554 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL12156703 0.85 HRH3 (0.57) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13713488 0.81 L3MBTL1 (0.53) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL24306041 0.81 RAB9A (0.54) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13713514 0.81 L3MBTL1 (0.53) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10311684 0.81 HTT (0.64) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4424813 0.80 MEN1 (0.52) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13915565 0.80 RAB9A (0.53) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3716649 0.79 L3MBTL1 (0.64) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2159850 0.79 TSHR (0.44) ALDH1A1SMN1; SMN2L3MBTL1HTTCYP1A2
SCHEMBL48652 0.79 HRH3 (0.61) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1

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-20180147163-A1 COMBINATION COMPOSITIONS AND THEIR USE IN METHODS FOR TREATING OBESITY AND OBESITY-RELATED DISORDERS HELMHOLTZ ZENTRUM MUNCHEN - DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-05-31 US claimed
EP-3297676-A2 COMBINATION OF TRPM8-AGONIST AND NACHR-AGONIST FOR TREATMENT OF OBESITY AND RELATED DISORDERS AND FOR WEIGHT REDUCTION Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2018-03-28 EP claimed
WO-2016188932-A2 COMBINATION COMPOSITIONS AND THEIR USE IN METHODS FOR TREATING OBESITY AND OBESITY-RELATED DISORDERS Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-12-01 WO claimed
US-20100035938-A1 Cooling Compounds GIVAUDAN SA (CH) 2010-02-11 US claimed
US-11059783-B2 Pyridinyl cyclohexanecarboxamide cooling compounds GIVAUDAN S.A. (CH) 2021-07-13 US disclosed
US-10568852-B2 Combination compositions and their use in methods for treating obesity and obesity-related disorders HELMHOLTZ ZENTRUM MUNCHEN - DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-02-25 US disclosed
US-20190194134-A1 PYRIDINYL CYCLOHEXANECARBOXAMIDE COOLING COMPOUNDS GIVAUDAN S.A. (CH) 2019-06-27 US disclosed
US-10221136-B2 Pyridinyl cyclohexanecarboxamide cooling compounds Givaudan, S.A. (CH) 2019-03-05 US disclosed
US-20180147163-A1 COMBINATION COMPOSITIONS AND THEIR USE IN METHODS FOR TREATING OBESITY AND OBESITY-RELATED DISORDERS HELMHOLTZ ZENTRUM MUNCHEN - DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-05-31 US disclosed
EP-3297676-A2 COMBINATION OF TRPM8-AGONIST AND NACHR-AGONIST FOR TREATMENT OF OBESITY AND RELATED DISORDERS AND FOR WEIGHT REDUCTION Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2018-03-28 EP disclosed
US-20170008845-A1 PYRIDINYL CYCLOHEXANECARBOXAMIDE COOLING COMPOUNDS GIVAUDAN SA (CH) 2017-01-12 US disclosed
WO-2016188932-A2 COMBINATION COMPOSITIONS AND THEIR USE IN METHODS FOR TREATING OBESITY AND OBESITY-RELATED DISORDERS Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-12-01 WO disclosed
WO-2012054528-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
US-7880011-B2 reacting p-menthanecarboxamide in toluene with 2-vinyl pyridine, 18-crown-6 chelating agent , potassium tert-butoxide (20% in tetrahydrofuran), heating to produce N-(2-pyridin-2-ylethyl)p-menthanecarboxamide[(1R,2S,5R)-2-isopropyl-5-methyl-N-(2-(pyridin-2-yl)ethyl)cyclohexanecarboxamide Givandan, S.A. (CH) 2011-02-01 US disclosed
EP-2178836-A1 AMIDE ADDITION REACTION Givaudan SA (CH) 2010-04-28 EP disclosed
US-20100035938-A1 Cooling Compounds GIVAUDAN SA (CH) 2010-02-11 US disclosed
WO-2009012609-A1 AMIDE ADDITION REACTION GIVAUDAN SA (CH) 2009-01-29 WO disclosed
US-20090030042-A1 Amide Addition Reaction GIVAUDAN, SA. (CH) 2009-01-29 US disclosed
EP-1917074-A1 COOLING COMPOUNDS Givaudan SA (CH) 2008-05-07 EP disclosed
WO-2007019719-A1 COOLING COMPOUNDS GIVAUDAN SA (CH) 2007-02-22 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 (8 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-11059783-B2 Pyridinyl cyclohexanecarboxamide cooling compounds CBR3, TAS2R31, CTRB2 TAS1R3 141/4885TAS1R1 80/4885ALDH1A1 1675/4885
US-10568852-B2 Combination compositions and their use in methods for treating obesity and obesity-related disorders FABP4, LIPC, GPR119 TAS1R3 2947/4885TAS1R1 3486/4885ALDH1A1 1132/4885
US-20090030042-A1 Amide Addition Reaction HRH2, OGDH, MDH2 TAS1R3 3216/4885TAS1R1 3524/4885ALDH1A1 2457/4885
US-20180147163-A1 COMBINATION COMPOSITIONS AND THEIR USE IN METHODS FOR TREATING OBESITY AND OBESITY-RELATED DISORDERS FABP4, LIPC, GPR119 TAS1R3 2947/4885TAS1R1 3486/4885ALDH1A1 1132/4885
US-20170008845-A1 PYRIDINYL CYCLOHEXANECARBOXAMIDE COOLING COMPOUNDS CBR3, CTRB2, TAS2R31 TAS1R3 127/4885TAS1R1 79/4885ALDH1A1 1603/4885
US-10221136-B2 Pyridinyl cyclohexanecarboxamide cooling compounds CBR3, CTRB2, TAS2R31 TAS1R3 127/4885TAS1R1 79/4885ALDH1A1 1603/4885
US-20100035938-A1 Cooling Compounds EBP, HRH1, TAS2R42 TAS1R3 134/4885TAS1R1 63/4885ALDH1A1 945/4885
US-20190194134-A1 PYRIDINYL CYCLOHEXANECARBOXAMIDE COOLING COMPOUNDS CBR3, TAS2R31, CTRB2 TAS1R3 141/4885TAS1R1 80/4885ALDH1A1 1675/4885

“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.