SCHEMBL5110104

SCHEMBL5110104

COc1cc(CN(CCNC(=O)O)C(=O)c2cccs2)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.62
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAF1 P04049 3/20 0.50
MAP2K1 Q02750 3/20 0.50
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
APP P05067 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL5109724 0.94 TRPM8 (0.72) TRPM8MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL14078335 0.90 TRPM8 (0.57) TRPM8MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5108268 0.90 TRPM8 (0.57) TRPM8MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL14078338 0.89 TRPM8 (0.69) TRPM8MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5110016 0.88 MTNR1A (0.58) TRPM8MTNR1AMTNR1BKDM4ECYP1A2
Hydrochloric Acid SCHEMBL5114422 0.88 TRPM8 (0.68) TRPM8MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5113509 0.86 TRPM8 (0.60) TRPM8MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5184728 0.85 TRPM8 (0.67) TRPM8MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5121399 0.84 TRPM8 (0.54) TRPM8MTNR1AMTNR1BKDM4ECYP1A2
SCHEMBL5110881 0.84 TRPM8 (0.79) TRPM8MTNR1AMTNR1BKDM4EALDH1A1

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 3 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
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 124/4885MTNR1A 132/4885MTNR1B 178/4885

“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.