SCHEMBL2159887

SCHEMBL2159887

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
EPHX2 P34913 1/20 0.53
TRPM8 Q7Z2W7 5/20 0.53
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TRPV1 Q8NER1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP3A4 P08684 1/20 0.43
EPHX1 P07099 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL2161022 0.90 MEN1 (0.56) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL24540478 0.84 TRPM8 (0.49) SMN1; SMN2TRPM8TRPV1HPGDCYP3A4
SCHEMBL2161053 0.84 TRPM8 (0.50) TRPM8TRPV1CYP3A4MEN1KMT2A
SCHEMBL2159792 0.83 TRPM8 (0.47) SMN1; SMN2TRPM8EPHX1MEN1KMT2A
SCHEMBL2159809 0.83 KMT2A (0.54) NPC1TRPM8MTNR1AMTNR1BTRPV1
SCHEMBL1629039 0.82 TAAR1 (0.54) EPHX2TRPM8EPHX1MEN1KMT2A
SCHEMBL3392794 0.82 TAAR1 (0.54) EPHX2TRPM8EPHX1MEN1KMT2A
SCHEMBL24540254 0.82 TAAR1 (0.54) EPHX2TRPM8EPHX1MEN1KMT2A
SCHEMBL2160155 0.82 TRPM8 (0.50) SMN1; SMN2TRPM8HPGDEPHX1MEN1
SCHEMBL24540260 0.82 TRPM8 (0.53) TRPM8TRPV1EPHX1

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 NPC1 2267/4885RAB9A 2168/4885SMN1; SMN2 1240/4885

“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.