SCHEMBL4885116

SCHEMBL4885116

CN(CCc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.62
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HPGD P15428 2/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
GABRA1 P14867 3/20 0.54
GABRB2 P47870 3/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
GABRA3 P34903 2/20 0.54
GABRA2 P47869 2/20 0.54
CYP3A4 P08684 1/20 0.52

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
SCHEMBL4885125 1.00 TRPM8 (0.62) TRPM8NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4881344 0.91 RAB9A (0.57) TRPM8NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4881351 0.91 RAB9A (0.57) TRPM8NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14148791 0.90 L3MBTL1 (0.61) TRPM8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29407319 0.90 L3MBTL1 (0.61) TRPM8NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14148789 0.90 L3MBTL1 (0.57) TRPM8SMN1; SMN2MAPT
SCHEMBL17340457 0.83 GABRA1 (0.57) GABRA1GABRB2GABRG2GABRB3GABRA3
SCHEMBL28418448 0.81 TRPM8 (0.72) TRPM8NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31547842 0.81 TRPM8 (0.72) TRPM8NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL15219985 0.79 CYP3A4 (0.56) TRPM8RAB9ASMN1; SMN2ALDH1A1CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9894921-B2 Use of cinnamic acid derivatives containing nitrogen as flavouring agents SYMRISE AG (DE) 2018-02-20 US disclosed
US-9894921-B2 Use of cinnamic acid derivatives containing nitrogen as flavouring agents SYMRISE AG (DE) 2018-02-20 US disclosed
EP-2737807-B1 Use of nitrogen-containing derivatives of cinnamic acid as flavourants SYMRISE AG (DE) 2017-04-05 EP disclosed
US-20150272185-A1 USE OF CINNAMIC ACID DERIVATIVES CONTAINING NITROGEN AS FLAVOURING AGENTS SYMRISE AG (DE) 2015-10-01 US disclosed
US-20150272185-A1 USE OF CINNAMIC ACID DERIVATIVES CONTAINING NITROGEN AS FLAVOURING AGENTS SYMRISE AG (DE) 2015-10-01 US disclosed
US-9144248-B2 Cinnamamides as savory flavorings SYMRISE AG (DE) 2015-09-29 US disclosed
US-9144248-B2 Cinnamamides as savory flavorings SYMRISE AG (DE) 2015-09-29 US disclosed
EP-2737807-A1 Use of nitrogen-containing derivatives of cinnamic acid as flavourants Symrise AG (DE) 2014-06-04 EP disclosed
EP-2529632-B1 Cinnamic acid amides as spicy flavour agents SYMRISE AG (DE) 2013-08-28 EP disclosed
US-20120308703-A1 Cinnamamides as savory flavorings SYMRISE AG (DE) 2012-12-06 US disclosed
US-20120308703-A1 Cinnamamides as savory flavorings SYMRISE AG (DE) 2012-12-06 US disclosed
EP-2529632-A1 Cinnamic acid amides as spicy flavour agents Symrise AG (DE) 2012-12-05 EP disclosed
US-20080038386-A1 Use of a liquid cooling sensate to provide a pungent, warming or tingling sensate composition MOZA ASHOK K 2008-02-14 US disclosed