SCHEMBL561972

SCHEMBL561972

O=C(Nc1c(F)cccc1F)c1ccn(Cc2cc(Cl)ccc2OCC2CCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.51
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL561216 0.97 PTGER1 (0.51) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL560971 0.96 PTGER1 (0.53) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL561633 0.89 SMN1; SMN2 (0.44) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL561070 0.89 NPY5R (0.43) PTGER1LMNASMN1; SMN2
SCHEMBL562153 0.88 PTGER1 (0.49) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL562199 0.85 PTGER1 (0.59) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL561193 0.84 PTGER1 (0.56) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL560938 0.84 PTGER1 (0.55) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL562072 0.83 PTGER1 (0.56) PTGER1
SCHEMBL560584 0.83 PTGER1 (0.72) PTGER1NPSR1LMNAGAASMN1; SMN2

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 4 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 claimed
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.