SCHEMBL785381

SCHEMBL785381

CC(C)CN(C(=O)c1ccccc1Cl)[C@@H]1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.43
SLC6A4 P31645 14/20 0.43
SLC6A3 Q01959 12/20 0.43
KCNH2 Q12809 7/20 0.42
OPRK1 P41145 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
DRD3 P35462 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL785382 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL785646 0.89 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL785647 0.89 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL785167 0.89 TP53 (0.43) SLC6A2SLC6A4SLC6A3TRPM8DRD3
SCHEMBL785978 0.89 TP53 (0.43) SLC6A2SLC6A4SLC6A3TRPM8DRD3
SCHEMBL785967 0.85 TRPM8 (0.47) TRPM8DRD3HPGDTSHR
SCHEMBL785968 0.85 TRPM8 (0.47) TRPM8DRD3HPGDTSHR
SCHEMBL2822146 0.84 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TRPM8DRD3
SCHEMBL484953 0.84 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TRPM8DRD3
SCHEMBL484622 0.83 HPGD (0.49) TRPM8DRD3HPGDTSHR

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 6 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
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 SLC6A2 1966/4885SLC6A4 1682/4885SLC6A3 1597/4885

“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.