SCHEMBL12080923

SCHEMBL12080923

O=S(=O)(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 1.00
HTR2A P28223 20/20 1.00
DRD3 P35462 20/20 1.00

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
SCHEMBL12080659 0.92 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12080658 0.92 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12478625 0.86 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12081232 0.85 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12081234 0.85 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL9933907 0.85 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL9933910 0.85 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12080173 0.83 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12081471 0.82 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12081469 0.82 DRD2 (1.00) DRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2680840-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP claimed
US-8598357-B2 Benzodioxole piperidine compounds HOFFMANN-LA ROCHE INC. (US) 2013-12-03 US claimed
WO-2012117001-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO claimed
US-20120225868-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US claimed
EP-2680840-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP disclosed
US-8598357-B2 Benzodioxole piperidine compounds HOFFMANN-LA ROCHE INC. (US) 2013-12-03 US disclosed
WO-2012117001-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO disclosed
US-20120225868-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US disclosed
US-20120225868-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 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-20120225868-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS HTR2A, HTR2C, HTR1D DRD2 12/4885HTR2A 1/4885DRD3 20/4885

“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.