SCHEMBL12181671

SCHEMBL12181671

Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)cc1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.56
▸ RAB9A P51151 8/20 0.56
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ TP53 P04637 4/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPT P10636 8/20 0.49
▸ NFKB1 P19838 3/20 0.48
▸ NFKB2 Q00653 3/20 0.48
▸ RELA Q04206 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ IL2 P60568 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45

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
SCHEMBL12181673 0.90 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL15164991 0.88 IL2 (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12181668 0.88 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12181651 0.88 SMO (0.50) NPC1RAB9ATP53MAPT
SCHEMBL12181648 0.86 STIM1 (0.52) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12155599 0.86 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12181644 0.85 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL15164989 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL15171185 0.82 IL2 (0.47) NPC1RAB9ASMN1; SMN2TP53IL2
SCHEMBL12181653 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 — — US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 — — US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 — — US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
WO-2011139765-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-11-10 — — WO 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-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-20150361075-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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