SCHEMBL25831756

SCHEMBL25831756

C[Si](C)(C)OC(C#N)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
AOC3 Q16853 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
ALOX15 P16050 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
S1PR2 O95136 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 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
SCHEMBL3830094 1.00 GAA (0.39) GAAHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL7088040 0.82 GAA (0.44) GAAHPGDAOC3ALDH1A1MAPT
SCHEMBL3924092 0.81 AOC3 (0.46) GAAHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL11038956 0.81 IDO1 (0.38) AOC3
SCHEMBL29237408 0.81 CTSB (0.31)
SCHEMBL30967873 0.81 CTSB (0.31)
SCHEMBL4671383 0.80 ALDH1A1 (0.40) GAACYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL2610137 0.79 L3MBTL1 (0.42) HPGDCYP3A4AOC3ALDH1A1HTT
SCHEMBL3295316 0.79 TRPA1 (0.42) GAAHPGDALDH1A1MAPTTSHR
SCHEMBL2610138 0.79 TRPA1 (0.42) GAAHPGDALDH1A1MAPTTSHR

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
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 US disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 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-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 GAA 1023/4885HPGD 1274/4885CYP1A2 494/4885
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder AVPR1A, AVPR2, AVPR1B GAA 4028/4885HPGD 856/4885CYP1A2 582/4885
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 GAA 1023/4885HPGD 1274/4885CYP1A2 494/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 GAA 2898/4885HPGD 1055/4885CYP1A2 495/4885

“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.