SCHEMBL16169865

SCHEMBL16169865

Cc1cc2c(cc1-c1ccc(NCc3ccccc3Cl)nc1)C(C)(C)CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.48
▸ ORAI1 Q96D31 6/20 0.48
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CNR2 P34972 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ GPR39 O43194 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
▸ MAP4K4 O95819 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
SCHEMBL14225977 0.86 STIM1 (0.41) STIM1ORAI1MAPTGAAALDH1A1
SCHEMBL14225949 0.83 STIM1 (0.56) STIM1ORAI1MAPTGAAALDH1A1
SCHEMBL14225978 0.82 STIM1 (0.73) STIM1ORAI1
SCHEMBL14225976 0.81 STIM1 (0.46) STIM1ORAI1MAPTGAAALDH1A1
SCHEMBL14226013 0.80 STIM1 (0.68) STIM1ORAI1MAPTGAAALDH1A1
SCHEMBL12155679 0.80 IL2 (0.47) GAAALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL18159235 0.74 STIM1 (0.58) STIM1ORAI1MAPTGAAALDH1A1
SCHEMBL1701081 0.73 NOTUM (0.40) STIM1ORAI1MAP4K4
SCHEMBL14225936 0.73 STIM1 (0.79) STIM1ORAI1
SCHEMBL12155678 0.72 NPC1 (0.53) STIM1ORAI1GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — 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 (1 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-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885MAPT 1478/4885

“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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