SCHEMBL2161053

SCHEMBL2161053

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCC(O)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NTSR1 P30989 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2D6 P10635 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
DPP4 P27487 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 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
SCHEMBL2159887 0.84 NPC1 (0.53) TRPM8MEN1KMT2ATRPV1CYP3A4
SCHEMBL2160133 0.84 TRPM8 (0.53) TRPM8MEN1KMT2ANTSR1NPSR1
SCHEMBL2628627 0.81 TRPM8 (0.52) TRPM8MEN1KMT2ANTSR1NPSR1
SCHEMBL2628626 0.81 TRPM8 (0.52) TRPM8MEN1KMT2ANTSR1NPSR1
SCHEMBL15131599 0.81 TRPM8 (0.52) TRPM8MEN1KMT2ANTSR1NPSR1
SCHEMBL24540582 0.81 TRPM8 (0.52) TRPM8MEN1KMT2ANTSR1NPSR1
SCHEMBL18786371 0.81 TRPM8 (0.52) TRPM8MEN1KMT2ANTSR1NPSR1
SCHEMBL2628609 0.81 TRPM8 (0.52) TRPM8MEN1KMT2ANTSR1NPSR1
SCHEMBL29112425 0.81 TRPM8 (0.52) TRPM8MEN1KMT2ANTSR1NPSR1
SCHEMBL890916 0.81 TRPM8 (0.52) TRPM8MEN1KMT2ANTSR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377422-B2 Carboxamide derivatives having cooling properties GIVAUDAN S.A. (CH) 2013-02-19 US claimed
US-20110182833-A1 Carboxamide Derivatives Having Cooling Properties GIVAUDAN SA (CH) 2011-07-28 US claimed
EP-2229352-A2 CARBOXAMIDE DERIVATIVES HAVING COOLING PROPERTIES Givaudan SA (CH) 2010-09-22 EP claimed
WO-2009070910-A2 CARBOXAMIDE DERIVATIEVES HAVING COOLING PROPERTIES GIVAUDAN SA (CH) 2009-06-11 WO claimed
US-8377422-B2 Carboxamide derivatives having cooling properties GIVAUDAN S.A. (CH) 2013-02-19 US disclosed
US-20110182833-A1 Carboxamide Derivatives Having Cooling Properties GIVAUDAN SA (CH) 2011-07-28 US disclosed
EP-2229352-A2 CARBOXAMIDE DERIVATIVES HAVING COOLING PROPERTIES Givaudan SA (CH) 2010-09-22 EP disclosed
WO-2009070910-A2 CARBOXAMIDE DERIVATIEVES HAVING COOLING PROPERTIES GIVAUDAN SA (CH) 2009-06-11 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 (1 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-20110182833-A1 Carboxamide Derivatives Having Cooling Properties CPS1, NQO2, NDUFA2 TRPM8 376/4885MEN1 1541/4885KMT2A 1195/4885

“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.