SCHEMBL1460799

SCHEMBL1460799

COCCOc1cc(C)c(-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.63
PTGES O14684 4/20 0.37
CYP2C9 P11712 2/20 0.37
DGAT1 O75907 10/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
FFAR1 O14842 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
SCHEMBL1460938 0.90 ORAI1 (0.64) ORAI1PTGESCYP2C9DGAT1FFAR1
SCHEMBL1460119 0.90 ORAI1 (0.77) ORAI1PTGESCYP2C9LOXL2FFAR1
SCHEMBL28799266 0.84 ORAI1 (0.61) ORAI1PTGESCYP2C9DGAT1FFAR1
SCHEMBL1460101 0.84 ORAI1 (0.59) ORAI1PTGESCYP2C9FFAR1
SCHEMBL1458826 0.83 ORAI1 (0.66) ORAI1DGAT1LOXL2
SCHEMBL12825958 0.82 ORAI1 (0.57) ORAI1PTGESCYP2C9FFAR1
SCHEMBL1459911 0.81 ORAI1 (0.58) ORAI1PTGESCYP2C9FFAR1
SCHEMBL1461026 0.80 ORAI1 (0.58) ORAI1PTGESCYP2C9FFAR1ROCK2
SCHEMBL1464317 0.80 ORAI1 (0.55) ORAI1PTGESCYP2C9FFAR1
SCHEMBL1460840 0.79 ORAI1 (0.54) ORAI1PTGESCYP2C9FFAR1ROCK2

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 11 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
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN 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
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN 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 1/4885PTGES 963/4885CYP2C9 2005/4885

“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.