SCHEMBL1459545

SCHEMBL1459545

COc1cc(C)c(-c2ccc3[nH]c(-c4cccc(C#N)c4F)cc3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.47
TRPA1 O75762 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.38
ABL1 P00519 2/20 0.36
FGFR3 P22607 1/20 0.35
ADORA2A P29274 1/20 0.35
DGAT1 O75907 1/20 0.35
SSTR2 P30874 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAP3K11 Q16584 1/20 0.34
CYP1A1 P04798 1/20 0.34
MAPT P10636 1/20 0.34
NR3C1 P04150 1/20 0.34
PRKCQ Q04759 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
SCHEMBL12825540 0.85 ORAI1 (0.49) ORAI1LOXL2ABL1CYP1A1MAPT
SCHEMBL1459926 0.83 ORAI1 (0.55) ORAI1TRPA1LOXL2ABL1CYP1A1
SCHEMBL1458826 0.81 ORAI1 (0.66) ORAI1TRPA1LOXL2ABL1FGFR3
SCHEMBL1460022 0.80 CYP19A1 (0.45) TRPA1CYP11B1CYP11B2CYP1A1
SCHEMBL1459224 0.79 CYP19A1 (0.42) ORAI1LOXL2ABL1CYP11B1CYP11B2
SCHEMBL1460119 0.77 ORAI1 (0.77) ORAI1LOXL2ABL1CYP1A1MAPT
SCHEMBL1459598 0.76 CYP11B1 (0.51) ORAI1LOXL2ABL1CYP11B1CYP11B2
SCHEMBL12825457 0.74 LOXL2 (0.46) ORAI1LOXL2ABL1MAP3K11CYP1A1
SCHEMBL1463839 0.73 ORAI1 (0.35) ORAI1ABL1SSTR2NR3C1
SCHEMBL15751035 0.70 ORAI1 (0.73) ORAI1ABL1FGFR3ADORA2ADGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E ORAI1 1/4885TRPA1 43/4885LOXL2 4039/4885

“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.