SCHEMBL14225976

SCHEMBL14225976

Cc1cc2c(cc1-c1ccc(NCc3ccccc3Cl)nc1)CC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.46
▸ ORAI1 Q96D31 6/20 0.46
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ GPR39 O43194 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL16173493 0.92 STIM1 (0.49) STIM1ORAI1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14226013 0.82 STIM1 (0.68) STIM1ORAI1GAAALDH1A1RAB9A
SCHEMBL14225949 0.81 STIM1 (0.56) STIM1ORAI1GAAALDH1A1RAB9A
SCHEMBL16169865 0.81 STIM1 (0.48) STIM1ORAI1GAAALDH1A1RAB9A
SCHEMBL12241670 0.80 IL2 (0.47) GAAALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL18159235 0.74 STIM1 (0.58) STIM1ORAI1GAAALDH1A1RAB9A
SCHEMBL14226012 0.73 STIM1 (0.73) STIM1ORAI1GAARAB9ASMN1; SMN2
SCHEMBL12241669 0.72 NPC1 (0.53) STIM1ORAI1GAAALDH1A1RAB9A
SCHEMBL14150207 0.72 STIM1 (0.72) STIM1ORAI1GAAALDH1A1RAB9A
SCHEMBL12155594 0.71 IL2 (0.57) STIM1ORAI1

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 7 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
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885GAA 994/4885

“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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