SCHEMBL1459906

SCHEMBL1459906

COc1ccc(-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)c(C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.55
PTGES O14684 7/20 0.38
CYP2C9 P11712 3/20 0.38
PDE2A O00408 3/20 0.37
PDE10A Q9Y233 3/20 0.37
PDE7A Q13946 2/20 0.37
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
PDE6D O43924 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE6H Q13956 1/20 0.36
FFAR1 O14842 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
RAF1 P04049 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL1459995 0.93 ORAI1 (0.45) ORAI1PDE2APDE10APDE7ABRD9
SCHEMBL1460119 0.84 ORAI1 (0.77) ORAI1PTGESCYP2C9FFAR1CYP2D6
SCHEMBL1459869 0.82 ORAI1 (0.42) ORAI1PDE10ABRD9BRD7RAF1
SCHEMBL1459687 0.80 ORAI1 (0.52) ORAI1PTGESCYP2C9PDE7ACYP2D6
SCHEMBL12825551 0.80 ORAI1 (0.52) ORAI1PTGESCYP2C9PDE7AFFAR1
SCHEMBL1459563 0.78 KDM4E (0.48) ORAI1PTGESTEKKDM4EMEN1
SCHEMBL1460929 0.77 ORAI1 (0.49) ORAI1PDE7AGRIA1CACNG8
SCHEMBL1460101 0.77 ORAI1 (0.59) ORAI1PTGESCYP2C9FFAR1CYP2D6
SCHEMBL1460056 0.77 ORAI1 (0.49) ORAI1PTGESCYP2C9FFAR1NPC1
SCHEMBL1460938 0.77 ORAI1 (0.64) ORAI1PTGESCYP2C9FFAR1

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 1/4885PTGES 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.