SCHEMBL22074352

SCHEMBL22074352

C=CC(=O)N(CC1CCCO1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
OXTR P30559 5/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AVPR1A P37288 4/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
AVPR2 P30518 1/20 0.41
AVPR1B P47901 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL20777353 0.84 TRPM8 (0.53) ALDH1A1OXTRHPGDL3MBTL1
SCHEMBL10745005 0.82 ALDH1A1 (0.55) ALDH1A1OXTRHPGDLMNATSHR
SCHEMBL22187009 0.82 HPGD (0.49) ALDH1A1OXTRHPGDLMNATSHR
SCHEMBL20772987 0.79 TRPM8 (0.52) ALDH1A1HPGDLMNATSHRALOX15
SCHEMBL29779959 0.79 TRPM8 (0.52) ALDH1A1HPGDLMNATSHRALOX15
SCHEMBL29779991 0.77 TRPM8 (0.61) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL20772759 0.77 TRPM8 (0.61) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL611099 0.75 OXTR (0.43) ALDH1A1OXTRHPGDLMNAAVPR1A
SCHEMBL22074368 0.75 TRPM8 (0.51) ALDH1A1HPGDLMNAKMT2AMAPT
SCHEMBL20773077 0.75 HPGD (0.66) ALDH1A1HPGDKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675809-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-07-08 EP claimed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
CN-111343963-B Use of physiologically cooling active ingredients and compositions comprising such active ingredients 巴斯夫欧洲公司 2023-09-12 CN disclosed
US-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients BASF SE (DE) 2022-09-06 US disclosed
EP-3675809-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-07-08 EP 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 ALDH1A1 1810/4885OXTR 1072/4885HPGD 1710/4885
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM5 ALDH1A1 1810/4885OXTR 1072/4885HPGD 1710/4885

“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.