SCHEMBL784980

SCHEMBL784980

CC(C)N(C(=O)c1ccc(F)cc1Cl)C1CCc2cc(F)c(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
TRPM8 Q7Z2W7 6/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NR1I2 O75469 1/20 0.36
PDK2 Q15119 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.33
HSD11B1 P28845 1/20 0.33
PYGL P06737 1/20 0.33

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
SCHEMBL803560 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TRPM8ALDH1A1
SCHEMBL883606 0.92 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TRPM8ALDH1A1
SCHEMBL803510 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TRPM8ALDH1A1
SCHEMBL803766 0.87 TRPM8 (0.47) SLC6A2SLC6A4SLC6A3TRPM8ALDH1A1
SCHEMBL785536 0.87 TRPM8 (0.47) SLC6A2SLC6A4SLC6A3TRPM8ALDH1A1
SCHEMBL785962 0.85 TRPM8 (0.41) SLC6A2SLC6A4TRPM8ALDH1A1HPGD
SCHEMBL784631 0.85 TRPM8 (0.41) SLC6A2SLC6A4TRPM8ALDH1A1HPGD
SCHEMBL803198 0.81 TRPM8 (0.43) SLC6A2SLC6A4SLC6A3TRPM8ALDH1A1
SCHEMBL785016 0.80 F10 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1PDK2
SCHEMBL803263 0.79 TRPM8 (0.47) SLC6A2SLC6A4SLC6A3TRPM8NR1I2

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 2 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-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.