SCHEMBL5107779

SCHEMBL5107779

COc1cc(CN(CCN)C(=O)c2ccccc2)ccc1OCc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.62
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAF1 P04049 3/20 0.51
MAP2K1 Q02750 3/20 0.51
ATM Q13315 1/20 0.50
APP P05067 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
BLM P54132 1/20 0.49
LPAR1 Q92633 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48
RXRA P19793 1/20 0.48
SLC2A1 P11166 1/20 0.47
PPARA Q07869 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL14078352 0.97 TRPM8 (0.64) TRPM8MEN1KMT2ARAF1MAP2K1
Hydrochloric Acid SCHEMBL5114925 0.96 TRPM8 (0.62) TRPM8MEN1KMT2ARAF1MAP2K1
SCHEMBL14078347 0.94 TRPM8 (0.69) TRPM8MEN1KMT2ARAF1MAP2K1
SCHEMBL14078273 0.90 TRPM8 (0.54) TRPM8MEN1KMT2ARAF1MAP2K1
Trifluoroacetic Acid SCHEMBL5106762 0.90 TRPM8 (0.62) TRPM8MEN1KMT2ARAF1MAP2K1
SCHEMBL14078310 0.90 TRPM8 (0.62) TRPM8MEN1KMT2ARAF1MAP2K1
Trifluoroacetic Acid SCHEMBL5111898 0.90 TRPM8 (0.54) TRPM8MEN1KMT2ARAF1MAP2K1
SCHEMBL5122218 0.89 TRPM8 (0.61) TRPM8MEN1KMT2ARAF1MAP2K1
SCHEMBL14078195 0.89 TRPM8 (0.56) TRPM8MEN1KMT2ARAF1MAP2K1
SCHEMBL5184788 0.88 TRPM8 (0.58) TRPM8MEN1KMT2ARAF1MAP2K1

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
US-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
EP-1802600-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONITS FOR THE TREATMENT OF UROLOGICAL DISORDERS Bayer HealthCare AG (DE) 2007-07-04 EP disclosed
WO-2006040136-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONISTS FOR THE TREATMENT OF UROLOGICAL DISORDER BAYER HEALTHCARE AG (DE) 2006-04-20 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 (1 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-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives OPRL1, ADRA1A, CNR1 TRPM8 124/4885MEN1 3278/4885KMT2A 1539/4885

“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.