SCHEMBL5320057

SCHEMBL5320057

COc1ccc(CN2CCN(CCN)CC2)c(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.65
OPRK1 P41145 2/20 0.65
CYP1A2 P05177 1/20 0.65
SLC6A4 P31645 1/20 0.65
OPRD1 P41143 1/20 0.65
APOBEC3A P31941 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
APOBEC3G Q9HC16 1/20 0.63
KDM4E B2RXH2 3/20 0.61
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
HTT P42858 2/20 0.56
CYP2C19 P33261 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56

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
SCHEMBL28298203 0.89 CHRM2 (0.79) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL30573473 0.86 CHRM2 (0.70) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL5319031 0.85 CHRM2 (0.65) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL11225310 0.84 CHRM2 (0.63) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL20595548 0.83 CHRM2 (0.70) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL11403125 0.83 CHRM2 (0.62) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL9089518 0.82 CHRM2 (0.60) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL11928962 0.81 CHRM2 (0.72) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL9452813 0.81 MEN1 (0.61) CHRM2OPRK1CYP1A2SLC6A4OPRD1
Hydrochloric Acid SCHEMBL30087523 0.80 APOBEC3A (0.73) CHRM2OPRK1CYP1A2SLC6A4OPRD1

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
WO-2007096251-A1 INHIBITORS OF CPT IN THE CENTRAL NERVOUS SYSTEM AS ANTIDIABETIC AND/OR ANTI-OBESITY DRUGS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-08-30 WO disclosed
EP-1197485-B1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis SERVIER LAB (FR) 2004-08-11 EP disclosed
US-6696469-B2 FOR TREATMENT OF DISEASES OR PATHOLOGICAL CONDITIONS IN WHICH ENDOTHELIAL DYSFUNCTION IS KNOWN; ATHEROSCLEROSIS, DYSLIPIDAEMIA, DIABETES LES LABORATOIRES SERVIER (FR) 2004-02-24 US disclosed
US-20020065419-A1 Cyclobutenedione compounds LES LABORATOIRES SERVIER (FR) 2002-05-30 US disclosed
EP-1197485-A1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis Les Laboratoires Servier (FR) 2002-04-17 EP 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-20020065419-A1 Cyclobutenedione compounds NR3C2, NR5A1, CYP11B1 CHRM2 1881/4885OPRK1 859/4885CYP1A2 126/4885

“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.