SCHEMBL3188136

SCHEMBL3188136

O=C1C2C3CCC(C4CC43)C2C(=O)N1c1cccc2cnccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
ROCK2 O75116 5/20 0.39
ROCK1 Q13464 5/20 0.39
KDM4E B2RXH2 3/20 0.38
PRKD3 O94806 3/20 0.38
PRKCG P05129 3/20 0.38

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
SCHEMBL5922917 1.00 TSHR (0.41) TSHRESR2CYP3A4CYP1A2CYP2C19
SCHEMBL6746135 1.00 TSHR (0.41) TSHRESR2CYP3A4CYP1A2CYP2C19
SCHEMBL3194493 0.84 MAPT (0.55) TSHRESR2ALDH1A1MAPTPKM
SCHEMBL5923339 0.84 MAPT (0.55) TSHRESR2ALDH1A1MAPTPKM
SCHEMBL5923333 0.84 MAPT (0.55) TSHRESR2ALDH1A1MAPTPKM
SCHEMBL3197889 0.83 TSHR (0.61) TSHRESR2CYP3A4CYP1A2CYP2C19
SCHEMBL3192798 0.83 TSHR (0.51) TSHRESR2CYP3A4CYP1A2CYP2C19
SCHEMBL3192474 0.83 TSHR (0.61) TSHRESR2CYP3A4CYP1A2CYP2C19
SCHEMBL3192805 0.83 TSHR (0.51) TSHRESR2CYP3A4CYP1A2CYP2C19
SCHEMBL3187341 0.80 ALDH1A1 (0.48) CYP3A4CYP1A2CYP2C19CYP2D6LMNA

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-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-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 TSHR 133/4885ESR2 14/4885CYP3A4 1124/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 TSHR 133/4885ESR2 14/4885CYP3A4 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.