SCHEMBL18159228

SCHEMBL18159228

Cc1cccc(C)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 9/20 0.79
▸ ORAI1 Q96D31 9/20 0.79
▸ ORAI2 Q96SN7 1/20 0.49
▸ CNR2 P34972 1/20 0.39
▸ GABRA5 P31644 4/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.36
▸ EIF2AK1 Q9BQI3 1/20 0.36
▸ GCGR P47871 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN8A Q9UQD0 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
SCHEMBL14150230 0.88 STIM1 (1.00) STIM1ORAI1ORAI2CNR2GABRA5
SCHEMBL15258916 0.84 STIM1 (0.84) STIM1ORAI1ORAI2CNR2GABRA5
SCHEMBL14226015 0.84 STIM1 (0.86) STIM1ORAI1ORAI2CNR2GABRA5
SCHEMBL14226010 0.83 STIM1 (1.00) STIM1ORAI1
SCHEMBL14150207 0.83 STIM1 (0.72) STIM1ORAI1ORAI2CNR2HDAC3
SCHEMBL14225957 0.82 STIM1 (0.65) STIM1ORAI1ORAI2CNR2GPR55
SCHEMBL14225944 0.82 STIM1 (0.70) STIM1ORAI1ORAI2CNR2GPR55
SCHEMBL14150223 0.82 STIM1 (1.00) STIM1ORAI1ORAI2GABRA5GPR55
SCHEMBL14150267 0.81 STIM1 (0.79) STIM1ORAI1ORAI2CNR2GPR55
SCHEMBL14226013 0.80 STIM1 (0.68) STIM1ORAI1ORAI2CNR2GPR55

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 2 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

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-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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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