SCHEMBL2057747

SCHEMBL2057747

CC1CCC(C(C)C)CC1.O=C(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 3/20 0.40
TRPA1 O75762 2/20 0.40
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
TRPV1 Q8NER1 5/20 0.35
ALOX5 P09917 1/20 0.34
HCRTR2 O43614 1/20 0.31

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
Bicarbonate SCHEMBL10767839 0.88 EPHX1 (0.39) EPHX1ALDH1A1MEN1KMT2ATRPM8
Hydrogen Peroxide SCHEMBL65467 0.85 TRPA1 (0.41) EPHX1ALDH1A1MEN1KMT2ATRPM8
SCHEMBL452781 0.84 TRPA1 (0.39) EPHX1ALDH1A1MEN1KMT2ATRPM8
SCHEMBL7979 0.84 TRPA1 (0.39) EPHX1ALDH1A1MEN1KMT2ATRPM8
SCHEMBL1760669 0.84 TRPA1 (0.39) EPHX1ALDH1A1MEN1KMT2ATRPM8
Carbamic Acid SCHEMBL1512882 0.84 EPHX1 (0.46) EPHX1ALDH1A1MEN1KMT2ATRPM8
SCHEMBL17698405 0.84 EPHX1 (0.37) EPHX1ALDH1A1MEN1KMT2ATRPM8
Charcoal, Activated SCHEMBL4530459 0.82 TRPA1 (0.37) EPHX1TRPM8TRPA1
Water SCHEMBL2851760 0.82 TRPA1 (0.37) EPHX1TRPM8TRPA1
Ammonia Solution, Strong SCHEMBL5944185 0.82 TRPA1 (0.37) EPHX1TRPM8TRPA1

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
CN-107949555-B Physiological cooling compound 西姆莱斯有限公司 2024-09-24 CN disclosed
US-20110160303-A1 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE EDWARD TAK WEI 2011-06-30 US disclosed
EP-2161252-A1 N-Alkylcarbonyl-amino acid ester and N-Alkylcarbonyl-amino lactone compounds and their use Wei, Edward T. (US) 2010-03-10 EP disclosed
EP-1871738-B1 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE WEI EDWARD T (US) 2009-07-15 EP disclosed
US-20080227857-A1 N-Alkylcarbonyl-Amino Acid Ester and N-Alkylcarbonyl-Amino Lactone Compounds and Their Use WEI EDWARD TAK 2008-09-18 US disclosed
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T 2007-03-08 US disclosed
US-7169377-B2 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T 2007-01-30 US disclosed
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods WEI EDWARD T (US) 2005-08-25 US disclosed
WO-2005039649-A1 RADIOLIGANDS FOR THE TRP-M8 RECEPTOR AND METHODS THEREWITH PAGET, HUGH, C., E. (GB) 2005-05-06 WO disclosed
US-20050084447-A1 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T (US) 2005-04-21 US 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-20050084447-A1 Radioligands for the TRP-M8 receptor and methods therewith TRPM8, GPR68, OPRL1 EPHX1 4381/4885ALDH1A1 1911/4885MEN1 735/4885
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods OPRL1, TRPV1, TRPA1 EPHX1 1355/4885ALDH1A1 1506/4885MEN1 4824/4885
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith GPR68, TRPM8, OPRL1 EPHX1 4778/4885ALDH1A1 1220/4885MEN1 1056/4885
US-20080227857-A1 N-Alkylcarbonyl-Amino Acid Ester and N-Alkylcarbonyl-Amino Lactone Compounds and Their Use TRPA1, TRPV1, CYSLTR1 EPHX1 1517/4885ALDH1A1 2618/4885MEN1 3885/4885
US-20110160303-A1 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE TRPA1, TRPV1, CYSLTR1 EPHX1 1517/4885ALDH1A1 2618/4885MEN1 3885/4885

“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.