SCHEMBL803606

SCHEMBL803606

CC(C)N(C(=O)c1cccc(F)c1Cl)[C@@H]1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 11/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
NR1I2 O75469 2/20 0.36
DRD3 P35462 1/20 0.35
SRD5A2 P31213 1/20 0.34
P2RX7 Q99572 1/20 0.32
KCNH2 Q12809 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 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
SCHEMBL784735 1.00 TRPM8 (0.42) TRPM8SLC6A2SLC6A4SLC6A3NR1I2
SCHEMBL803210 0.90 SLC6A2 (0.39) TRPM8SLC6A2SLC6A4SLC6A3NR1I2
SCHEMBL785540 0.87 TRPM8 (0.40) TRPM8SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL803262 0.87 TRPM8 (0.40) TRPM8SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL785968 0.86 TRPM8 (0.47) TRPM8NR1I2DRD3NPSR1ADRB1
SCHEMBL785967 0.86 TRPM8 (0.47) TRPM8NR1I2DRD3NPSR1ADRB1
SCHEMBL785744 0.84 SLC6A2 (0.43) TRPM8SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL803284 0.84 SLC6A2 (0.43) TRPM8SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL784897 0.83 TRPM8 (0.47) TRPM8SLC6A2SLC6A4SLC6A3NR1I2
SCHEMBL803263 0.83 TRPM8 (0.47) TRPM8SLC6A2SLC6A4SLC6A3NR1I2

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 180/4885SLC6A2 1966/4885SLC6A4 1682/4885

“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.