SCHEMBL4591257

SCHEMBL4591257

O=C1C2CCCCC2C(=O)N1c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HTT P42858 3/20 0.49
CYP2C9 P11712 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
RAD51 Q06609 7/20 0.49
RAD1 O60671 1/20 0.48
BCL2A1 Q16548 1/20 0.48
ALDH3A1 P30838 1/20 0.48
ALDH1A3 P47895 1/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL3188169 0.82 MAPT (0.49) ALDH1A1HTTCYP2C9NPSR1KDM4E
SCHEMBL3192147 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ARAD51RAD1BCL2A1
SCHEMBL3192164 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ARAD51RAD1BCL2A1
SCHEMBL3188185 0.82 MAPT (0.49) ALDH1A1HTTCYP2C9NPSR1KDM4E
SCHEMBL3198897 0.80 MEN1 (0.60) ALDH1A1HTTNPSR1KDM4ECYP3A4
SCHEMBL3198907 0.80 MEN1 (0.60) ALDH1A1HTTNPSR1KDM4ECYP3A4
SCHEMBL4591467 0.80 MEN1 (0.60) ALDH1A1HTTNPSR1KDM4ECYP3A4
SCHEMBL3189544 0.78 NPC1 (0.57) ALDH1A1KMT2AHPGDTSHRMAPT
SCHEMBL3200503 0.77 RXFP1 (0.52) ALDH1A1KMT2AHPGDTSHRMAPT
SCHEMBL3180327 0.77 POLB (0.58) ALDH1A1KMT2AHPGDMAPTSMN1; SMN2

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 ALDH1A1 3191/4885HTT 3748/4885CYP2C9 2520/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885HTT 3748/4885CYP2C9 2520/4885

“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.