SCHEMBL10271041

SCHEMBL10271041

COc1cccc(/C=C/C(=O)N(c2ccccn2)C2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 14/20 1.00
ALDH1A1 P00352 4/20 0.75
KDM4E B2RXH2 2/20 0.75
POLB P06746 1/20 0.75
HTT P42858 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
LMNA P02545 2/20 0.65
MAPT P10636 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL10270949 0.89 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL30532223 0.89 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL10271033 0.87 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL13277736 0.87 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL30532220 0.85 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL10270345 0.85 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL10270341 0.81 TRPM8 (0.76) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL30532215 0.81 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL10270359 0.81 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT
SCHEMBL13277324 0.81 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 EP disclosed
EP-3663366-A2 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS Symrise AG (DE) 2020-06-10 EP disclosed
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2018-04-05 US disclosed
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2018-04-05 US disclosed
US-9718839-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2017-08-01 US disclosed
US-9718839-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2017-08-01 US disclosed
US-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2015-03-26 US disclosed
US-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2015-03-26 US disclosed
US-8927605-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2015-01-06 US disclosed
US-8927605-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2015-01-06 US disclosed
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2012-10-18 US disclosed
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2012-10-18 US disclosed
WO-2011061330-A9 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2012-01-05 WO disclosed
WO-2011061330-A2 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2011-05-26 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 (3 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-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 TRPM8 1/4885ALDH1A1 2466/4885KDM4E 3971/4885
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 TRPM8 1/4885ALDH1A1 2466/4885KDM4E 3971/4885
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 TRPM8 1/4885ALDH1A1 2466/4885KDM4E 3971/4885

“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.