SCHEMBL803547

SCHEMBL803547

COC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)c1cccnc1C(F)(F)F)CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
ACKR3 P25106 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
HSD11B1 P28845 2/20 0.35
SMO Q99835 1/20 0.34
MAPT P10636 1/20 0.34
SPR P35270 1/20 0.34
CXCR4 P61073 1/20 0.34
ACHE P22303 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RBP4 P02753 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
SCHEMBL785410 0.90 HCRTR1 (0.37) ACKR3HDAC6HCRTR1HCRTR2HSD11B1
SCHEMBL785739 0.90 HCRTR1 (0.37) ACKR3HDAC6HCRTR1HCRTR2HSD11B1
SCHEMBL803216 0.88 TRPM8 (0.36) ALOX15HTTACKR3HDAC6HCRTR1
SCHEMBL803552 0.88 HCRTR1 (0.38) ALOX15HTTACKR3HDAC6HCRTR1
SCHEMBL803716 0.81 PDE4A (0.43) ALOX15HTTHDAC6MAPTMEN1
SCHEMBL803693 0.81 PDE4A (0.43) ALOX15HTTHDAC6MAPTMEN1
SCHEMBL803576 0.80 LMNA (0.40) HCRTR2MAPTSPRACHEMEN1
SCHEMBL13131593 0.79 HPGD (0.46) MAPTSPRACHEMEN1KMT2A
SCHEMBL803190 0.79 HPGD (0.46) MAPTSPRACHEMEN1KMT2A
SCHEMBL803203 0.78 MGLL (0.38) HCRTR2MAPTACHEMEN1KMT2A

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 ALOX15 2120/4885HTT 2709/4885ACKR3 231/4885

“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.