SCHEMBL547045

SCHEMBL547045

COc1ccc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
GPR119 Q8TDV5 6/20 0.46
OPRK1 P41145 3/20 0.42
KCNH2 Q12809 2/20 0.42
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.42
STS P08842 1/20 0.41
PREP P48147 2/20 0.41
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40

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
SCHEMBL547046 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM3GPR119OPRK1
SCHEMBL547468 0.98 CHRM2 (0.48) CHRM2CHRM1CHRM3GPR119OPRK1
SCHEMBL20989256 0.90 CHRM2 (0.55) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL1091721 0.84 CA12 (0.46) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL4758033 0.84 OPRK1 (0.46) OPRK1KCNH2OPRM1KDM4E
SCHEMBL4758034 0.84 OPRK1 (0.46) OPRK1KCNH2OPRM1KDM4E
SCHEMBL1029432 0.83 CHRM2 (0.47) CHRM2CHRM1CHRM3GPR119OPRK1
SCHEMBL1029431 0.83 CHRM2 (0.47) CHRM2CHRM1CHRM3GPR119OPRK1
SCHEMBL14687597 0.83 MAOB (0.43) CHRM2CHRM1CHRM3GPR119ALDH1A1
SCHEMBL21526582 0.83 CHRM2 (0.55) CHRM2CHRM1CHRM3GPR119OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110586-B2 8-aza-bicyclo[3.2.1]octane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20100267764-A1 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors ANIONA APS (DK) 2010-10-21 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 (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-20100267764-A1 8-Aza-Bicyclo[3.2.1]Octane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC18A3, SLC6A2 CHRM2 228/4885CHRM1 223/4885CHRM3 390/4885

“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.