SCHEMBL521672

SCHEMBL521672

CC(C)[C@H]1[CH]C[C@@H](C)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 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
SCHEMBL3422050 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL20358052 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL522463 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL4622479 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL3422054 1.00 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL43485 1.00 TRPA1 (0.32) TRPA1TRPM8
Dimethyl Sulfoxide SCHEMBL7538397 0.89
SCHEMBL283746 0.74
SCHEMBL14109264 0.69
SCHEMBL8479861 0.68 SIGMAR1 (0.41) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091424-B2 Preparation of acetate compounds via a ketene compound BASF SE (DE) 2021-08-17 US claimed
CN-108218847-B Aryloxy phenoxy alkanoic acid derivative and medical application thereof 三峡大学 2021-03-23 CN claimed
EP-3728179-A1 PREPARATION OF ACETATE COMPOUNDS VIA A KETENE COMPOUND BASF SE (DE) 2020-10-28 EP claimed
US-20200308094-A1 PREPARATION OF ACETATE COMPOUNDS VIA A KETENE COMPOUND BASF SE (DE) 2020-10-01 US claimed
EP-3168215-B1 PROCESS FOR PREPARATION OF BARNIDIPINE USV PRIVATE LTD (IN) 2020-05-20 EP claimed
EP-3168215-A2 PROCESS FOR PREPARATION OF BARNIDIPINE USV Private Limited (IN) 2017-05-17 EP claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
EP-2292591-A2 Process for the preparation of cyclopropyl derivatives AstraZeneca AB (SE) 2011-03-09 EP claimed
EP-2181980-A1 A process for the preparation of (R)-1-aminoindanes Chemo Ibérica, S.A. (ES) 2010-05-05 EP claimed
US-20100041757-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE WEI EDWARD TAK 2010-02-18 US claimed
US-20080118558-A1 N-Arylshydroxyalkylidene carboxamide compositions and methods WEI EDWARD T 2008-05-22 US claimed
US-20070155755-A1 N-arylshydroxyalkylidene-carboxamide compositions and methods WEI EDWARD T 2007-07-05 US claimed
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T 2007-03-08 US claimed
EP-1760066-A2 Processes for the preparation of cyclopropyl carboxylic acid derivatives and intermediates provided by these processes AstraZeneca AB (SE) 2007-03-07 EP claimed
US-20060258879-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2006-11-16 US claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods WEI EDWARD T (US) 2005-08-25 US claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
US-20030120105-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives ASTRAZENECA AB (SE) 2003-06-26 US claimed
US-4331605-A Lactone ring containing sulfonic acid esters ROUSSEL UCLAF (FR) 1982-05-25 US claimed

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

For each of this compound's patents that has machine-readable text (11 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-20060258879-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives MCCC2, DHPS, CYP3A4 TRPA1 4397/4885TRPM8 3856/4885
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods OPRL1, TRPV1, TRPA1 TRPA1 3/4885TRPM8 13/4885
US-20030120105-A1 Process for the preparation of cyclopropyl carboxylic acid esters and derivatives MCCC2, DHPS, CYP3A4 TRPA1 4397/4885TRPM8 3856/4885
US-20080118558-A1 N-Arylshydroxyalkylidene carboxamide compositions and methods TRPV1, OPRL1, HRH2 TRPA1 6/4885TRPM8 41/4885
US-20200308094-A1 PREPARATION OF ACETATE COMPOUNDS VIA A KETENE COMPOUND AKR1C2, KAT8, KAT5 TRPA1 2710/4885TRPM8 2859/4885
US-11091424-B2 Preparation of acetate compounds via a ketene compound AKR1C2, KAT8, KAT5 TRPA1 2710/4885TRPM8 2859/4885
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith GPR68, TRPM8, OPRL1 TRPA1 8/4885TRPM8 2/4885
US-20070155755-A1 N-arylshydroxyalkylidene-carboxamide compositions and methods TRPV1, OPRL1, HRH2 TRPA1 5/4885TRPM8 38/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 TRPA1 4750/4885TRPM8 3856/4885
US-20100041757-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE TRPV1, TRPA1, TRPV2 TRPA1 2/4885TRPM8 15/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 TRPA1 2822/4885TRPM8 2307/4885

“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.