SCHEMBL12241317

SCHEMBL12241317

Cc1oc2c(c1-c1ccc(NC(=O)C(C)C)nc1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ RAB9A P51151 7/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ TP53 P04637 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ EP300 Q09472 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 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
SCHEMBL12241313 0.98 ABL1 (0.41) ABL1ALDH1A1RAB9ANPC1TP53
SCHEMBL12156190 0.85 ABL1 (0.39) ABL1ALDH1A1RAB9ANPC1TP53
SCHEMBL12241318 0.83 NPSR1 (0.39) ABL1ALDH1A1RAB9ANPC1TP53
SCHEMBL12241305 0.83 ABL1 (0.39) ABL1ALDH1A1RAB9ANPC1TP53
SCHEMBL12241320 0.81 NPC1 (0.53) ALDH1A1RAB9ANPC1TP53KDM4E
SCHEMBL12241314 0.81 NPSR1 (0.39) ABL1ALDH1A1RAB9ANPC1TP53
SCHEMBL16572615 0.80 IL2 (0.42) ALDH1A1RAB9ANPC1TP53KDM4E
SCHEMBL12241315 0.80 IL2 (0.50) ALDH1A1RAB9ANPC1TP53KDM4E
SCHEMBL12241328 0.80 ALDH1A1 (0.43) ABL1ALDH1A1RAB9ANPC1TP53
SCHEMBL12241308 0.79 NPC1 (0.53) ALDH1A1RAB9ANPC1TP53KDM4E

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 11 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
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-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 ABL1 4066/4885ALDH1A1 4409/4885RAB9A 1174/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ABL1 4066/4885ALDH1A1 4409/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885ALDH1A1 4409/4885RAB9A 1174/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885ALDH1A1 4409/4885RAB9A 1174/4885

“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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