SCHEMBL14226020

SCHEMBL14226020

Cc1cc2c(cc1-c1ccc(NCc3c(F)ccc(F)c3F)nc1)OC(F)(F)O2

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 9/20 0.82
▸ ORAI1 Q96D31 9/20 0.82
▸ SCN9A Q15858 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ GABRA5 P31644 4/20 0.37
▸ ORAI2 Q96SN7 1/20 0.37
▸ ENPP2 Q13822 1/20 0.35
▸ EED O75530 2/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ EZH2 Q15910 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
SCHEMBL14150223 0.90 STIM1 (1.00) STIM1ORAI1SCN9AGPR55GABRA5
SCHEMBL14226016 0.88 STIM1 (0.84) STIM1ORAI1SCN9AGPR55GABRA5
SCHEMBL14226015 0.86 STIM1 (0.86) STIM1ORAI1GABRA5ORAI2
SCHEMBL14226014 0.83 STIM1 (0.79) STIM1ORAI1SCN9AGPR55ORAI2
SCHEMBL14225953 0.82 STIM1 (0.81) STIM1ORAI1SCN9AGPR55GABRA5
SCHEMBL14226012 0.81 STIM1 (0.73) STIM1ORAI1SCN9AGPR55ORAI2
SCHEMBL14150229 0.79 STIM1 (0.80) STIM1ORAI1SCN9AGPR55ORAI2
SCHEMBL14225921 0.79 STIM1 (0.78) STIM1ORAI1GABRA5ORAI2
SCHEMBL14226013 0.78 STIM1 (0.68) STIM1ORAI1GPR55ORAI2
SCHEMBL14150230 0.77 STIM1 (1.00) STIM1ORAI1GPR55GABRA5ORAI2

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
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
WO-2012170931-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — WO disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — 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 (4 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885SCN9A 235/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885SCN9A 235/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885SCN9A 235/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885SCN9A 235/4885

“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.

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