SCHEMBL785652

SCHEMBL785652

CC(C)N(C(=O)c1cccnc1C(F)(F)F)C1CCc2cc(F)c(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.41
CYP3A4 P08684 1/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
PDK2 Q15119 1/20 0.35
DPP4 P27487 1/20 0.33
ACKR3 P25106 1/20 0.33
NR1I2 O75469 1/20 0.33
RBP4 P02753 1/20 0.33
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL803597 1.00 TRPM8 (0.41) TRPM8CYP3A4HCRTR1HCRTR2SLC6A2
SCHEMBL803202 0.91 TRPM8 (0.40) TRPM8CYP3A4HCRTR1HCRTR2SLC6A2
SCHEMBL785936 0.87 TRPM8 (0.38) TRPM8CYP3A4HCRTR1HCRTR2SLC6A2
SCHEMBL803767 0.87 TRPM8 (0.38) TRPM8CYP3A4HCRTR1HCRTR2SLC6A2
SCHEMBL803216 0.81 TRPM8 (0.36) TRPM8CYP3A4HCRTR1HCRTR2SLC6A2
SCHEMBL784648 0.80 TAF1 (0.38) TRPM8HCRTR1HCRTR2PDK2RBP4
SCHEMBL784631 0.77 TRPM8 (0.41) TRPM8SLC6A2SLC6A4NR1I2ALDH1A1
SCHEMBL785962 0.77 TRPM8 (0.41) TRPM8SLC6A2SLC6A4NR1I2ALDH1A1
SCHEMBL784980 0.76 SLC6A2 (0.42) TRPM8CYP3A4SLC6A2SLC6A4PDK2
SCHEMBL803560 0.76 SLC6A2 (0.42) TRPM8CYP3A4SLC6A2SLC6A4PDK2

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 TRPM8 180/4885CYP3A4 2055/4885HCRTR1 214/4885

“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.