SCHEMBL721741

SCHEMBL721741

COC(=O)C(C)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.59
EPHX1 P07099 3/20 0.58
TRPA1 O75762 2/20 0.41
TRPV1 Q8NER1 6/20 0.40

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
SCHEMBL175203 1.00 TRPM8 (0.59) TRPM8EPHX1TRPA1TRPV1
SCHEMBL2057592 1.00 TRPM8 (0.59) TRPM8EPHX1TRPA1TRPV1
SCHEMBL13567902 1.00 TRPM8 (0.59) TRPM8EPHX1TRPA1TRPV1
SCHEMBL18541153 1.00 TRPM8 (0.59) TRPM8EPHX1TRPA1TRPV1
SCHEMBL2058286 1.00 TRPM8 (0.59) TRPM8EPHX1TRPA1TRPV1
SCHEMBL23269796 1.00 TRPM8 (0.59) TRPM8EPHX1TRPA1TRPV1
SCHEMBL721740 1.00 TRPM8 (0.59) TRPM8EPHX1TRPA1TRPV1
SCHEMBL4223777 0.90 EPHX1 (0.47) TRPM8EPHX1TRPA1TRPV1
SCHEMBL18541154 0.89 TRPM8 (0.71) TRPM8EPHX1TRPA1TRPV1
SCHEMBL358358 0.89 TRPM8 (0.71) TRPM8EPHX1TRPA1TRPV1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184614-A1 N-alkylcarbonyl-amino acid ester compounds and their use for cough and pharyngitis AXALBION SA (CH) 2012-07-19 US claimed
US-20110152366-A1 N-alkylcarbonyl-amino acid ester compounds and their use for skin irritation, itch, and pain AXALBION SA (CH) 2011-06-23 US claimed
US-20110082204-A1 N-alkylcarbonyl-amino acid ester and N-alkylcarbonyl-amino lactone compounds and their use WEI EDWARD T 2011-04-07 US claimed
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 claimed
US-20080227857-A1 N-Alkylcarbonyl-Amino Acid Ester and N-Alkylcarbonyl-Amino Lactone Compounds and Their Use WEI EDWARD TAK 2008-09-18 US claimed
EP-1871738-A2 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE Wei, Edward T. (US) 2008-01-02 EP claimed
WO-2006103401-A2 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE PAGET, HUGH, CHARLES, EDWARD (GB) 2006-10-05 WO claimed
US-10028920-B2 Methods for treating occular irritation involving tearing by administering modulators of TRPM8 UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2018-07-24 US disclosed
US-10028920-B2 Methods for treating occular irritation involving tearing by administering modulators of TRPM8 UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2018-07-24 US disclosed
US-20170071875-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DRY EYE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS C.S.I.C. (ES) 2017-03-16 US disclosed
US-20170071875-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DRY EYE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS C.S.I.C. (ES) 2017-03-16 US disclosed
US-9433679-B2 Use of TRMP8 for treating opthalmic diseases or conditions involving tearing UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2016-09-06 US disclosed
US-9433679-B2 Use of TRMP8 for treating opthalmic diseases or conditions involving tearing UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2016-09-06 US disclosed
US-20120053152-A1 (R)-(-)-1,2-propanediol compositions and methods WEI EDWARD T (US) 2012-03-01 US 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
US-20110152366-A1 N-alkylcarbonyl-amino acid ester compounds and their use for skin irritation, itch, and pain AXALBION SA (CH) 2011-06-23 US disclosed
US-20110082204-A1 N-alkylcarbonyl-amino acid ester and N-alkylcarbonyl-amino lactone compounds and their use WEI EDWARD T 2011-04-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-10028920-B2 Methods for treating occular irritation involving tearing by administering modulators of TRPM8 TRPM8, TRPM5, TRPM7 TRPM8 1/4885EPHX1 1020/4885TRPA1 12/4885
US-20120184614-A1 N-alkylcarbonyl-amino acid ester compounds and their use for cough and pharyngitis TRPA1, FAAH, TRPV1 TRPM8 49/4885EPHX1 837/4885TRPA1 1/4885
US-20080227857-A1 N-Alkylcarbonyl-Amino Acid Ester and N-Alkylcarbonyl-Amino Lactone Compounds and Their Use TRPA1, TRPV1, CYSLTR1 TRPM8 22/4885EPHX1 1517/4885TRPA1 1/4885
US-20110082204-A1 N-alkylcarbonyl-amino acid ester and N-alkylcarbonyl-amino lactone compounds and their use TRPA1, FAAH, AANAT TRPM8 53/4885EPHX1 1766/4885TRPA1 1/4885
US-20170071875-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DRY EYE TRPM8, TRPM7, TRPM5 TRPM8 1/4885EPHX1 1393/4885TRPA1 22/4885
US-20120053152-A1 (R)-(-)-1,2-propanediol compositions and methods ADH1C, ADH1A, CNR1 TRPM8 142/4885EPHX1 2464/4885TRPA1 54/4885
US-20110160303-A1 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE TRPA1, TRPV1, CYSLTR1 TRPM8 22/4885EPHX1 1517/4885TRPA1 1/4885
US-20110152366-A1 N-alkylcarbonyl-amino acid ester compounds and their use for skin irritation, itch, and pain TRPA1, TRPV1, CUTA TRPM8 41/4885EPHX1 1021/4885TRPA1 1/4885

“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.