SCHEMBL696460

SCHEMBL696460

O=C1c2ccccc2C(=O)N1c1ccn(Cc2ccccc2Oc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
FAAH O00519 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.39
HRH1 P35367 1/20 0.38
RIPK1 Q13546 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
BRD4 O60885 3/20 0.36
BCL2L2 Q92843 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CCR8 P51685 1/20 0.35
KCNH2 Q12809 1/20 0.35
NR1H2 P55055 2/20 0.35
P2RX7 Q99572 1/20 0.35
NR1H3 Q13133 1/20 0.35
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL756024 0.83 PTGER1 (0.47) NR1H2NR1H3GRM5MEN1GAA
SCHEMBL2115672 0.77 CACNA1G (0.47) CYP19A1NR1H2NR1H3
SCHEMBL695045 0.75 ALDH1A1 (0.57) CYP19A1FAAHPTGDR2HRH1RIPK1
SCHEMBL560934 0.74 PTGER1 (0.52) CYP19A1FAAHPTGDR2HRH1RIPK1
SCHEMBL12468720 0.74 ALDH1A1 (0.38) NR1H2NR1H3GRM5MEN1CYP1A2
SCHEMBL2114944 0.73 MEN1 (0.37) NR1H2P2RX7NR1H3MEN1KMT2A
SCHEMBL562080 0.72 MEN1 (0.49) CYP19A1FAAHPTGDR2HRH1RIPK1
SCHEMBL15162641 0.71 CACNA1G (0.38) RIPK1GRM5MEN1GAATSHR
SCHEMBL560947 0.69 KMT2A (0.51) CYP19A1FAAHPTGDR2SLC6A2SLC6A4
SCHEMBL19950727 0.68 NR1H2 (0.67) SLC6A2SLC6A4BRD4NR1H2NR1H3

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 CYP19A1 3103/4885FAAH 217/4885PTGDR2 856/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 CYP19A1 260/4885FAAH 116/4885PTGDR2 294/4885

“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.