SCHEMBL5110016

SCHEMBL5110016

COc1cc(CN(CCNC(=O)O)C(=O)c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TRPM8 Q7Z2W7 1/20 0.55
RAF1 P04049 5/20 0.54
MAP2K1 Q02750 5/20 0.54
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
BLM P54132 1/20 0.53
APP P05067 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL5107256 0.94 TRPM8 (0.54) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL5121399 0.93 TRPM8 (0.54) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL5106648 0.88 KMT2A (0.51) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL5110104 0.88 TRPM8 (0.62) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL14078343 0.88 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL14078347 0.86 TRPM8 (0.69) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL5301483 0.85 TRPM8 (0.52) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL14078308 0.83 TRPM8 (0.50) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL14078293 0.83 MRGPRX4 (0.52) MTNR1AMTNR1BMEN1KMT2ATRPM8
SCHEMBL14078350 0.83 TRPM8 (0.49) MTNR1AMTNR1BMEN1KMT2ATRPM8

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 MTNR1A 132/4885MTNR1B 178/4885MEN1 3278/4885

“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.