SCHEMBL22074356

SCHEMBL22074356

O=C(/C=C/c1ccccc1)N(c1ccccc1)C1CCSC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 0.67
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPY2R P49146 5/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL22074394 0.92 TRPM8 (0.57) TRPM8HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL22074343 0.89 TRPM8 (0.72) TRPM8HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL22074475 0.86 TRPM8 (0.57) TRPM8HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL29780002 0.84 ALDH1A1 (0.56) TRPM8SMN1; SMN2ALDH1A1NPC1
SCHEMBL22074441 0.84 ALDH1A1 (0.56) TRPM8SMN1; SMN2ALDH1A1NPC1
SCHEMBL22074404 0.83 TRPM8 (0.74) TRPM8SMN1; SMN2NPC1
SCHEMBL20777268 0.83 TRPM8 (0.71) TRPM8SMN1; SMN2ALDH1A1NPC1L3MBTL1
SCHEMBL29779961 0.83 TRPM8 (0.71) TRPM8SMN1; SMN2ALDH1A1NPC1L3MBTL1
SCHEMBL29779992 0.83 TRPM8 (0.71) TRPM8SMN1; SMN2ALDH1A1NPC1L3MBTL1
SCHEMBL20777379 0.82 TRPM8 (0.49) TRPM8HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
US-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients BASF SE (DE) 2022-09-06 US disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 US disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 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 (2 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-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients TRPM8, TRPM7, TRPM5 TRPM8 1/4885HTR2A 864/4885HTR2C 955/4885
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM5 TRPM8 1/4885HTR2A 864/4885HTR2C 955/4885

“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.