SCHEMBL4590575

SCHEMBL4590575

O=C1C2CCCCC2C(=O)N1c1ccc2[nH]ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.52
JAK2 O60674 4/20 0.52
GSK3B P49841 4/20 0.52
CYP2D6 P10635 5/20 0.46
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A3 Q01959 5/20 0.46
MAT2A P31153 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
CYP3A4 P08684 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
PIM1 P11309 1/20 0.41
NOS1 P29475 2/20 0.41

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
SCHEMBL4590692 0.89 ALDH1A1 (0.47) ROCK2JAK2GSK3BMEN1RAB9A
SCHEMBL3200472 0.81 L3MBTL1 (0.50) ROCK2JAK2GSK3BPOLBMEN1
SCHEMBL3200462 0.81 L3MBTL1 (0.50) ROCK2JAK2GSK3BPOLBMEN1
SCHEMBL4591056 0.81 L3MBTL1 (0.50) ROCK2JAK2GSK3BPOLBMEN1
SCHEMBL3189171 0.80 ROCK2 (0.45) ROCK2JAK2GSK3BCYP2D6SLC6A2
SCHEMBL3189413 0.80 ROCK2 (0.45) ROCK2JAK2GSK3BCYP2D6SLC6A2
SCHEMBL3189403 0.80 ROCK2 (0.45) ROCK2JAK2GSK3BCYP2D6SLC6A2
SCHEMBL3189178 0.80 ROCK2 (0.45) ROCK2JAK2GSK3BCYP2D6SLC6A2
SCHEMBL3178727 0.80 ROCK2 (0.45) ROCK2JAK2GSK3BCYP2D6SLC6A2
SCHEMBL5922787 0.78 ROCK2 (0.41) ROCK2JAK2GSK3BCYP2D6SLC6A2

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-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

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.