SCHEMBL561269

SCHEMBL561269

O=C(Nc1c(F)cccc1F)c1ccn(Cc2cc(Cl)ccc2OCCc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 14/20 0.61
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL560584 0.91 PTGER1 (0.72) PTGER1NPSR1LMNAGAACYP1A2
SCHEMBL561193 0.88 PTGER1 (0.56) PTGER1NPSR1LMNAGAACYP1A2
SCHEMBL561142 0.88 PTGER1 (0.56) PTGER1NPSR1LMNAGAACYP1A2
SCHEMBL561589 0.86 PTGER1 (0.54) PTGER1NPSR1LMNAGAACYP1A2
SCHEMBL562199 0.85 PTGER1 (0.59) PTGER1NPSR1LMNAGAACYP1A2
SCHEMBL561320 0.85 PTGER1 (0.55) PTGER1NPSR1LMNAGAACYP1A2
SCHEMBL562105 0.85 PTGER1 (0.59) PTGER1NPSR1LMNAGAACYP1A2
SCHEMBL560938 0.84 PTGER1 (0.55) PTGER1NPSR1LMNAGAACYP1A2
SCHEMBL562072 0.84 PTGER1 (0.56) PTGER1
SCHEMBL7875050 0.84 PTGER1 (0.62) PTGER1NPSR1LMNAGAACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO 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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC PTGER1 1951/4885NPSR1 3980/4885LMNA 1433/4885

“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.