SCHEMBL4820734

SCHEMBL4820734

C=CCN1C2CCC1CC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.41
OPRD1 P41143 5/20 0.41
SLC6A2 P23975 2/20 0.39
DRD3 P35462 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.34
PRCP P42785 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6616685 0.92 MAPK1 (0.48) OPRM1OPRD1SLC6A2DRD3CHRM1
SCHEMBL1574160 0.82 CYP3A4 (0.34) OPRM1OPRD1SLC6A2DRD3CHRM1
SCHEMBL8715080 0.82 CYP3A4 (0.34) OPRM1OPRD1SLC6A2DRD3CHRM1
SCHEMBL5965398 0.75 AR (0.38) MAPK1
SCHEMBL11051916 0.73 LMNA (0.40) OPRM1OPRD1SLC6A2DRD3CHRM1
SCHEMBL4667127 0.73 LMNA (0.40) OPRM1OPRD1SLC6A2DRD3CHRM1
SCHEMBL4351591 0.71 MAPK1 (0.41) MAPK1
SCHEMBL5071115 0.71 MAPK1 (0.46) MAPK1
SCHEMBL3301280 0.71 SLC6A2 (0.38) OPRM1OPRD1SLC6A2DRD3CHRM1
SCHEMBL20725546 0.68 SLC6A2 (0.43) OPRM1OPRD1SLC6A2DRD3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042365-B1 SALTS OF ENDO-8-METHYL-8-SYN-ALKYL-8-AZONIABICYCLO-(3.2.1)-OCTANE-3-ALKYLCARBOXYLATES, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC COMPOSITIONS CONTAINING THEM VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1984-09-12 EP claimed
US-7459556-B2 Process for preparing substituted 8-azabicyclo[3.2.1]octan-3-ols SCHERING-PLOUGH LTD. (CH) 2008-12-02 US disclosed
EP-1791838-A2 PROCESS FOR PREPARING SUBSTITUTED 8-AZABICYCLO[3.2.1] OCTAN-3-OLS Schering-Plough Ltd. (CH) 2007-06-06 EP disclosed
WO-2006031788-A2 PROCESS FOR PREPARING SUBSTITUTED 8-AZABICYCLO[3.2.1] OCTAN-3-OLS SCHERING-PLOUGH LTD. (CH) 2006-03-23 WO disclosed
US-20060058343-A1 Process for preparing substituted 8-azabicyclo[3.2.1]octan-3-ols SCHERING-PLOUGH LTD. (CH) 2006-03-16 US disclosed
EP-0042365-B1 SALTS OF ENDO-8-METHYL-8-SYN-ALKYL-8-AZONIABICYCLO-(3.2.1)-OCTANE-3-ALKYLCARBOXYLATES, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC COMPOSITIONS CONTAINING THEM VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1984-09-12 EP disclosed
US-4411902-A ANTISPASMODICS VALEAS S.P.A. (IT) 1983-10-25 US disclosed
EP-0042365-A1 Salts of endo-8-methyl-8-syn-alkyl-8-azoniabicyclo-(3.2.1)-octane-3-alkylcarboxylates, process for their preparation and therapeutic compositions containing them VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1981-12-23 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-20060058343-A1 Process for preparing substituted 8-azabicyclo[3.2.1]octan-3-ols ODC1, CYP2C8, OR10J3 OPRM1 223/4885OPRD1 106/4885SLC6A2 1441/4885

“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.