SCHEMBL3661394

SCHEMBL3661394

COC(=O)c1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)OC(C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
STS P08842 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NR4A2 P43354 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4214462 1.00 ABL1 (0.38) ABL1CNR1CNR2SLC6A4SLC6A3
SCHEMBL13929332 0.86 CNR1 (0.37) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL275084 0.85 CYP3A4 (0.37) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL279502 0.85 CYP3A4 (0.37) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL275083 0.85 CYP3A4 (0.37) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL13929386 0.85 CNR1 (0.36) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL13929360 0.85 MEN1 (0.34) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL699140 0.83 PTGDR2 (0.39) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL4721856 0.83 PSEN1 (0.35) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL13929006 0.83 PSEN1 (0.35) CNR1CNR2GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235017-A1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080488-A1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ABL1 590/4885CNR1 1644/4885CNR2 2771/4885

“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.