SCHEMBL700063

SCHEMBL700063

FC(F)(F)c1ccccc1C(Br)CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
ACP3 P15309 1/20 0.41
CNR2 P34972 2/20 0.41
MC4R P32245 1/20 0.39
IDO1 P14902 3/20 0.36
TDO2 P48775 1/20 0.35
HSD11B1 P28845 3/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A4 P31645 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
PSMB8 P28062 1/20 0.33
OPRM1 P35372 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
SCHEMBL9242031 0.79 P2RX7 (0.50) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL30705308 0.79 P2RX7 (0.50) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL7784265 0.78 ACP3 (0.44) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL8683054 0.78 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL30276914 0.78 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL3881807 0.77 P2RX7 (0.48) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL8911591 0.75 P2RX7 (0.47) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL213827 0.75 P2RX7 (0.67) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL30062302 0.75 P2RX7 (0.67) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL27626781 0.74 ACP3 (0.41) P2RX7ACP3CNR2MC4RHSD11B1

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-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E P2RX7 55/4885ACP3 2086/4885CNR2 42/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 P2RX7 573/4885ACP3 502/4885CNR2 130/4885

“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.