SCHEMBL4592133

SCHEMBL4592133

CN1CCN(c2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
TSHR P16473 3/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
ADRA2C P18825 1/20 0.49
GFER P55789 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49

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
SCHEMBL3187823 1.00 USP2 (0.56) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL5922760 0.84 USP2 (0.59) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3179029 0.84 USP2 (0.59) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL10014710 0.83 USP2 (0.76) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL5923024 0.83 USP2 (0.58) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL3199528 0.83 USP2 (0.58) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL5958827 0.79 TSHR (0.69) USP2TSHRCYP3A4CYP2C19NPSR1
SCHEMBL19546868 0.78 MAPT (0.71) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL19520430 0.78 MAPT (0.71) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL19546831 0.78 MAPT (0.71) TSHRCYP3A4CYP2C19NPSR1ALDH1A1

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 USP2 1946/4885TSHR 133/4885CYP3A4 1124/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 USP2 1946/4885TSHR 133/4885CYP3A4 1124/4885

“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.