SCHEMBL15577503

SCHEMBL15577503

CC1(C)C(=O)N(CCO[Si](C)(C)C(C)(C)C)c2cc(NC(=O)c3ccncc3F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
TRPC1 P48995 1/20 0.41
TRPC3 Q13507 1/20 0.41
CRACR2A Q9BSW2 4/20 0.39
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
KIF18A Q8NI77 1/20 0.34
IL2 P60568 1/20 0.34
MET P08581 2/20 0.33
INSR P06213 1/20 0.33
P2RX1 P51575 1/20 0.33
CYP11B2 P19099 2/20 0.33
NAMPT P43490 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL15577332 0.85 STIM1 (0.44) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15577407 0.83 STIM1 (0.43) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15577374 0.83 STIM1 (0.46) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15577328 0.83 STIM1 (0.46) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15577493 0.82 STIM1 (0.48) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15577410 0.82 STIM1 (0.42) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15577418 0.81 STIM1 (0.42) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15579179 0.81 CRACR2A (0.42) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15579076 0.80 STIM1 (0.48) STIM1ORAI1TRPC1TRPC3CRACR2A
SCHEMBL15577347 0.79 CRHR1 (0.49) STIM1ORAI1TRPC1TRPC3CRACR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895476-B1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2016-06-22 EP disclosed
US-9221816-B2 2-oxo-2,3-dihydro-indoles for the treatment of CNS disorders HOFFMANN LA-ROCHE INC. (US) 2015-12-29 US disclosed
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE INC. (US) 2015-10-08 US disclosed
EP-2895476-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
WO-2014040969-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 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 (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-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HCRTR2, TPH2, CNR2 STIM1 3620/4885ORAI1 3629/4885TRPC1 740/4885

“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.