SCHEMBL14225996

SCHEMBL14225996

Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)C(=O)CCO2

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.77
▸ ORAI1 Q96D31 6/20 0.77
▸ EED O75530 11/20 0.42
▸ SUZ12 Q15022 7/20 0.40
▸ EZH2 Q15910 7/20 0.40
▸ RBBP4 Q09028 1/20 0.40
▸ AEBP2 Q6ZN18 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ CCND1 P24385 1/20 0.39
▸ CDK6 Q00534 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
SCHEMBL14150171 0.87 STIM1 (1.00) STIM1ORAI1EEDSUZ12EZH2
SCHEMBL12156003 0.83 IL2 (0.56) STIM1ORAI1
SCHEMBL14225952 0.81 STIM1 (0.84) STIM1ORAI1GABRA5
SCHEMBL14225939 0.81 STIM1 (0.77) STIM1ORAI1EEDSUZ12EZH2
SCHEMBL12155985 0.80 NPC1 (0.52) STIM1ORAI1CCND1CDK6
SCHEMBL16335301 0.80 STIM1 (0.67) STIM1ORAI1GABRA5
SCHEMBL14150223 0.79 STIM1 (1.00) STIM1ORAI1GABRA5
SCHEMBL14225978 0.79 STIM1 (0.73) STIM1ORAI1GABRA5
SCHEMBL17746853 0.78 STIM1 (0.64) STIM1ORAI1GABRA5
SCHEMBL14225921 0.78 STIM1 (0.78) STIM1ORAI1GABRA5

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 8 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
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 1/4885EED 4289/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885EED 4289/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885EED 4289/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885EED 4289/4885

“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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