SCHEMBL3223608

SCHEMBL3223608

CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C#N

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.50
TRPA1 O75762 2/20 0.50
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 2/20 0.38
KCNA5 P22460 1/20 0.36
TRPV1 Q8NER1 3/20 0.33
LMNA P02545 2/20 0.33
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL10034389 1.00 TRPM8 (0.50) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL16551739 1.00 TRPM8 (0.50) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL1828151 1.00 TRPM8 (0.50) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL20651084 0.83 TRPM8 (0.45) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL4728415 0.83 TRPM8 (0.54) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL17971599 0.80
SCHEMBL1603520 0.79 TRPM8 (0.50) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL13033009 0.77
SCHEMBL13033011 0.77
SCHEMBL14445027 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318356-B1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2015-03-11 EP disclosed
EP-2318356-B1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2015-03-11 EP disclosed
US-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-07-03 US disclosed
US-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-07-03 US disclosed
US-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2014-07-03 US disclosed
US-8754259-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2014-06-17 US disclosed
US-8754259-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2014-06-17 US disclosed
US-8754259-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2014-06-17 US disclosed
US-20130216486-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US disclosed
US-20130216486-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US disclosed
US-20130216486-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US disclosed
US-8426643-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2013-04-23 US disclosed
US-8426643-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2013-04-23 US disclosed
US-8426643-B2 Synthesis of cyclohexane derivatives useful as sensates in consumer products THE PROCTER & GAMBLE COMPANY (US) 2013-04-23 US disclosed
US-20120283469-A1 INTERCONVERSION BETWEEN ISOMERIC P-MENTHANE-3-CARBOXYLIC ACIDS PINOVA HOLDINGS, INC 2012-11-08 US disclosed
US-20120116113-A1 PROCESS FOR MAKING NEO-ENRICHED p-MENTHANE COMPOUNDS RENESSENZ LLC 2012-05-10 US disclosed
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products THE PROCTER & GAMBLE COMPANY 2010-03-25 US disclosed
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products THE PROCTER & GAMBLE COMPANY 2010-03-25 US disclosed
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products THE PROCTER & GAMBLE COMPANY 2010-03-25 US disclosed
WO-2010019730-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2010-02-18 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 (5 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-20140186272-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS NISCH, TRPM4, TRPM8 TRPM8 3/4885TRPA1 10/4885EPHX1 528/4885
US-20100076080-A1 Synthesis of Cyclohexane Derivatives Useful as Sensates in Consumer Products NISCH, TRPM4, TRPM8 TRPM8 3/4885TRPA1 10/4885EPHX1 528/4885
US-20120283469-A1 INTERCONVERSION BETWEEN ISOMERIC P-MENTHANE-3-CARBOXYLIC ACIDS ME1, TASP1, MNS1 TRPM8 1087/4885TRPA1 781/4885EPHX1 255/4885
US-20120116113-A1 PROCESS FOR MAKING NEO-ENRICHED p-MENTHANE COMPOUNDS ME3, MDH2, ME2 TRPM8 571/4885TRPA1 1863/4885EPHX1 238/4885
US-20130216486-A1 SYNTHESIS OF CYCLOHEXANE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS NISCH, TRPM4, TRPM8 TRPM8 3/4885TRPA1 10/4885EPHX1 528/4885

“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.