SCHEMBL6552278

SCHEMBL6552278

CC(O)(c1ccccc1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.62
CHRM2 P08172 3/20 0.44
CHRM1 P11229 3/20 0.44
CYP2D6 P10635 3/20 0.44
LMNA P02545 3/20 0.44
HTR1A P08908 2/20 0.44
OPRM1 P35372 2/20 0.44
KCNH2 Q12809 2/20 0.44
CHRM3 P20309 5/20 0.43
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL11638601 0.91 CYP2B6 (0.50) CYP2B6CHRM2CHRM1CYP2D6LMNA
SCHEMBL5139721 0.82 OPRD1 (0.49) CYP2B6CHRM2CHRM1CYP2D6LMNA
SCHEMBL11541847 0.82 SMN1; SMN2 (0.54) CYP2B6CYP2D6LMNAOPRM1MEN1
SCHEMBL4437324 0.81 CHRM3 (0.50) CYP2B6CHRM2CHRM1CYP2D6LMNA
SCHEMBL15546036 0.79 CYP2B6 (0.43) CYP2B6KCNH2L3MBTL1
SCHEMBL2423921 0.78 CYP2B6 (0.55) CYP2B6CHRM2CHRM1CYP2D6LMNA
SCHEMBL25772069 0.78 CYP2B6 (0.55) CYP2B6CHRM2CHRM1CYP2D6LMNA
SCHEMBL17810248 0.78 CYP2B6 (0.67) CYP2B6CHRM2CHRM1CYP2D6LMNA
SCHEMBL19011533 0.78 CYP2B6 (0.96) CYP2B6CHRM2CHRM1CYP2D6LMNA
SCHEMBL16079079 0.77 DRD2 (0.51) CHRM2CHRM1CYP2D6LMNAHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186104-A1 Novel pyridinone and related heterocyclic derivatives ASTRAZENECA AB (SE) 2004-09-23 US disclosed
EP-1387829-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES AstraZeneca AB (SE) 2004-02-11 EP disclosed
WO-2002090333-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 WO 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 (1 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-20040186104-A1 Novel pyridinone and related heterocyclic derivatives CBR1, CBR3, CHRM1 CYP2B6 6/4885CHRM2 11/4885CHRM1 3/4885

“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.