SCHEMBL803552

SCHEMBL803552

CCN(C(=O)c1cccnc1C(F)(F)F)[C@@H]1CCc2ccc(C(=O)OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 2/20 0.35
ALOX15 P16050 1/20 0.35
ACKR3 P25106 1/20 0.35
CXCR4 P61073 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD11B1 P28845 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
REN P00797 2/20 0.34
GCGR P47871 1/20 0.33
ACHE P22303 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
SCHEMBL784596 0.90 HCRTR1 (0.39) HCRTR1HCRTR2GAAHPGDHDAC6
SCHEMBL784998 0.90 HCRTR1 (0.39) HCRTR1HCRTR2GAAHPGDHDAC6
SCHEMBL803547 0.88 ALOX15 (0.37) HCRTR1HCRTR2HDAC6HTTALOX15
SCHEMBL803216 0.86 TRPM8 (0.36) HCRTR1HCRTR2HDAC6HTTALOX15
SCHEMBL803197 0.81 LMNA (0.40) GAASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL803508 0.81 WDR5 (0.41) HPGDSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL803734 0.79 SLC6A2 (0.41) SMN1; SMN2ALDH1A1MAPTACHE
SCHEMBL803716 0.79 PDE4A (0.43) HDAC6HTTALOX15MAPT
SCHEMBL803693 0.79 PDE4A (0.43) HDAC6HTTALOX15MAPT
SCHEMBL785410 0.78 HCRTR1 (0.37) HCRTR1HCRTR2HDAC6ACKR3CYP3A4

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 HCRTR1 214/4885HCRTR2 500/4885GAA 3227/4885

“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.