SCHEMBL3199474

SCHEMBL3199474

O=C1CC2CCC1C1C(=O)N(c3ccc4[nH]ncc4c3)C(=O)C21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.41
JAK2 O60674 4/20 0.41
GSK3B P49841 4/20 0.41
RIPK2 O43353 1/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
ROCK1 Q13464 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
CYP2D6 P10635 5/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36

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
SCHEMBL5922797 1.00 ROCK2 (0.41) ROCK2JAK2GSK3BRIPK2CYP3A4
SCHEMBL5922787 1.00 ROCK2 (0.41) ROCK2JAK2GSK3BRIPK2CYP3A4
SCHEMBL3200472 0.78 L3MBTL1 (0.50) ROCK2JAK2GSK3BCYP3A4MEN1
SCHEMBL5922966 0.78 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3197848 0.78 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3200462 0.78 L3MBTL1 (0.50) ROCK2JAK2GSK3BCYP3A4MEN1
SCHEMBL4591056 0.78 L3MBTL1 (0.50) ROCK2JAK2GSK3BCYP3A4MEN1
SCHEMBL5922972 0.78 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4590575 0.78 ROCK2 (0.52) ROCK2JAK2GSK3BCYP3A4MEN1
SCHEMBL3189178 0.77 ROCK2 (0.45) ROCK2JAK2GSK3BCYP3A4MEN1

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
EP-1379249-A4 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-01-09 EP claimed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 US claimed
EP-1379249-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-01-14 EP claimed
WO-2002067939-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-06 WO claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 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 (2 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ROCK2 4658/4885JAK2 2800/4885GSK3B 3296/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ROCK2 4658/4885JAK2 2800/4885GSK3B 3296/4885

“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.