SCHEMBL12592383

SCHEMBL12592383

CCOC(=O)[C@H]1CN(B(C)O)CC[C@H]1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.53
▸ SLC18A2 Q05940 3/20 0.53
▸ CHRM2 P08172 5/20 0.52
▸ CHRM4 P08173 5/20 0.52
▸ CHRM5 P08912 5/20 0.52
▸ CHRM1 P11229 5/20 0.52
▸ CHRM3 P20309 5/20 0.52
▸ SLC6A2 P23975 2/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ ADRA1D P25100 4/20 0.46
▸ ADRA1A P35348 4/20 0.46
▸ ADRA1B P35368 3/20 0.46

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
SCHEMBL14376322 1.00 SLC6A3 (0.53) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL13473847 1.00 SLC6A3 (0.53) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL13473844 1.00 SLC6A3 (0.53) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL14065598 0.91 MAPT (0.54) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL14376312 0.91 MAPT (0.54) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL14065593 0.91 MAPT (0.54) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL14371524 0.83 SLC6A2 (0.49) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12592377 0.83 SLC6A2 (0.49) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12592372 0.83 SLC6A2 (0.49) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13473846 0.83 SLC6A2 (0.49) SLC6A3CHRM2CHRM4CHRM5CHRM1

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-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 — — US disclosed
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 — — US disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 — — 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 (3 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-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS AHR, AR, CYP8B1 SLC6A3 2693/4885SLC18A2 3149/4885CHRM2 1150/4885
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS AHR, CYP8B1, ADRA2C SLC6A3 2337/4885SLC18A2 3106/4885CHRM2 627/4885
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids AHR, CYP8B1, ADRA2C SLC6A3 2337/4885SLC18A2 3106/4885CHRM2 627/4885

“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.

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