SCHEMBL1857057

SCHEMBL1857057

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)CCCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 2/20 0.44
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 2/20 0.39
HSD11B1 P28845 1/20 0.37
KCNA5 P22460 1/20 0.37

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
SCHEMBL1861814 0.82 EPHX1 (0.47) TRPM8SMN1; SMN2EPHX1ALDH1A1HPGD
SCHEMBL29533375 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL31486820 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL29007016 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL529952 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL23062653 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL1159800 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL31658232 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4132345 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL2628659 0.81 TRPM8 (0.52) TRPM8SMN1; SMN2CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155151-B1 Butanone derivatives and use thereof as cooling agents GIVAUDAN SA (CH) 2013-07-31 EP claimed
US-7935848-B2 Butone derivatives useful as cooling agents GIVAUDAN S.A. (CH) 2011-05-03 US claimed
US-20100197713-A1 BUTONE DERIVATIVES USEFUL AS COOLING AGENTS GIVAUDAN SA (CH) 2010-08-05 US claimed
EP-2155151-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-02-24 EP claimed
WO-2008141469-A2 BUTONE DERIVATIVES USEFUL AS COOLING AGENTS GIVAUDAN SA (CH) 2008-11-27 WO claimed
EP-2155151-B1 Butanone derivatives and use thereof as cooling agents GIVAUDAN SA (CH) 2013-07-31 EP disclosed
US-7935848-B2 Butone derivatives useful as cooling agents GIVAUDAN S.A. (CH) 2011-05-03 US disclosed
US-20100197713-A1 BUTONE DERIVATIVES USEFUL AS COOLING AGENTS GIVAUDAN SA (CH) 2010-08-05 US disclosed
EP-2155151-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-02-24 EP disclosed
WO-2008141469-A2 BUTONE DERIVATIVES USEFUL AS COOLING AGENTS GIVAUDAN SA (CH) 2008-11-27 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-20100197713-A1 BUTONE DERIVATIVES USEFUL AS COOLING AGENTS C1S, HSD3B1, DECR1 TRPM8 3493/4885SMN1; SMN2 3771/4885CYP1A2 122/4885

“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.