SCHEMBL12241332

SCHEMBL12241332

Cc1sc2c(c1-c1cnc(NC(=O)C(C)C)cn1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ FABP4 P15090 9/20 0.40
▸ FABP5 Q01469 9/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PSMD14 O00487 1/20 0.37
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 3/20 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
SCHEMBL12155987 0.86 ALDH1A1 (0.39) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL12241336 0.84 ALDH1A1 (0.41) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL12241328 0.83 ALDH1A1 (0.43) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL1701386 0.81 ALDH1A1 (0.45) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL12241326 0.80 MEN1 (0.53) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL16572617 0.79 IL2 (0.44) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL12241318 0.79 NPSR1 (0.39) MAPTALDH1A1KDM4ECYP2C19NPSR1
SCHEMBL12241327 0.78 IL2 (0.48) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL12241331 0.78 KMT2A (0.52) MAPTKMT2AALDH1A1KDM4EMEN1
SCHEMBL12241314 0.77 NPSR1 (0.39) MAPTKMT2AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US 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-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — 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 (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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885KMT2A 4706/4885ALDH1A1 4409/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 MAPT 1478/4885KMT2A 4706/4885ALDH1A1 4409/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885KMT2A 4706/4885ALDH1A1 4409/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885KMT2A 4706/4885ALDH1A1 4409/4885

“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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