SCHEMBL784596

SCHEMBL784596

CCN(C(=O)c1cccnc1C(F)(F)F)C1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
ALDH1A1 P00352 1/20 0.38
DRD3 P35462 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
ACKR3 P25106 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
RAMP1 O60894 3/20 0.33
CALCRL Q16602 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
RBP4 P02753 2/20 0.33
ACHE P22303 1/20 0.33
HSD11B1 P28845 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 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
SCHEMBL784998 1.00 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1DRD3HDAC6
SCHEMBL803552 0.90 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1HDAC6ACKR3
SCHEMBL785410 0.88 HCRTR1 (0.37) HCRTR1HCRTR2DRD3HDAC6ACKR3
SCHEMBL785739 0.88 HCRTR1 (0.37) HCRTR1HCRTR2DRD3HDAC6ACKR3
SCHEMBL803767 0.85 TRPM8 (0.38) HCRTR1HCRTR2DRD3HDAC6ACKR3
SCHEMBL785936 0.85 TRPM8 (0.38) HCRTR1HCRTR2DRD3HDAC6ACKR3
SCHEMBL784639 0.80 DRD3 (0.41) DRD3TRPM8ACHE
SCHEMBL784638 0.80 DRD3 (0.41) DRD3TRPM8ACHE
SCHEMBL784994 0.80 TAF1 (0.38) HCRTR1HCRTR2RBP4HSD11B1
SCHEMBL785978 0.79 TP53 (0.43) DRD3TRPM8ACHEHPGD

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 HCRTR1 214/4885HCRTR2 500/4885ALDH1A1 1267/4885

“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.