SCHEMBL12241722

SCHEMBL12241722

Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)nc1)C(F)(F)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.54
▸ RAB9A P51151 7/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ TP53 P04637 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ABL1 P00519 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.48
▸ STIM1 Q13586 1/20 0.45
▸ ORAI1 Q96D31 1/20 0.45
▸ DYRK1A Q13627 3/20 0.44
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ IL2 P60568 1/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ WNT1 P04628 1/20 0.42
▸ HTT P42858 2/20 0.41

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
SCHEMBL12241719 0.92 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12241721 0.89 IL2 (0.53) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12241731 0.88 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12155845 0.86 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL16572603 0.85 IL2 (0.44) NPC1RAB9AALDH1A1ABL1STIM1
SCHEMBL12156132 0.85 STIM1 (0.61) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12156303 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL12241729 0.81 ABL1 (0.48) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL14225966 0.80 STIM1 (0.57) STIM1ORAI1
SCHEMBL12241737 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E

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-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (3 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885

“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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