SCHEMBL803216

SCHEMBL803216

COC(=O)c1ccc2c(c1)[C@H](N(C(=O)c1cccnc1C(F)(F)F)C(C)C)CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.36
HSD11B1 P28845 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CACNA1B Q00975 1/20 0.34
RBP4 P02753 1/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
ACKR3 P25106 1/20 0.33
CXCR4 P61073 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL803767 0.90 TRPM8 (0.38) TRPM8HSD11B1CYP3A4HDAC6SLC6A2
SCHEMBL785936 0.90 TRPM8 (0.38) TRPM8HSD11B1CYP3A4HDAC6SLC6A2
SCHEMBL803202 0.89 TRPM8 (0.40) TRPM8CYP3A4SLC6A2SLC6A4HCRTR1
SCHEMBL803547 0.88 ALOX15 (0.37) HSD11B1CYP3A4ALOX15HTTHDAC6
SCHEMBL803552 0.86 HCRTR1 (0.38) HSD11B1CYP3A4ALOX15HTTHDAC6
SCHEMBL803728 0.81 TRPM8 (0.39) TRPM8HSD11B1
SCHEMBL785652 0.81 TRPM8 (0.41) TRPM8CYP3A4SLC6A2SLC6A4RBP4
SCHEMBL803597 0.81 TRPM8 (0.41) TRPM8CYP3A4SLC6A2SLC6A4RBP4
SCHEMBL803189 0.81 TRPM8 (0.43) TRPM8SLC6A2SLC6A4
SCHEMBL784051 0.80 CCR5 (0.34) TRPM8HCRTR1HCRTR2

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TRPM8 180/4885HSD11B1 4053/4885CYP3A4 2055/4885

“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.