SCHEMBL13583787

SCHEMBL13583787

O=C(N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 20/20 1.00
▸ DRD3 P35462 20/20 1.00
▸ DRD2 P14416 19/20 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
SCHEMBL13583786 1.00 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13584432 0.94 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13584431 0.94 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13584272 0.93 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13584397 0.93 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13584273 0.93 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13583354 0.93 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13584398 0.93 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13583350 0.93 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL13644192 0.93 HTR2A (0.86) HTR2ADRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704707-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-03-12 — — EP claimed
US-20120283254-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 — — US claimed
WO-2012150231-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 — — WO claimed
US-8921397-B2 Benzofurane-piperidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 — — US disclosed
US-8921397-B2 Benzofurane-piperidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 — — US disclosed
US-8921397-B2 Benzofurane-piperidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 — — US disclosed
EP-2704707-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-03-12 — — EP disclosed
WO-2012150231-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 — — WO disclosed
US-20120283254-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 — — US disclosed
US-20120283254-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 — — US disclosed
US-20120283254-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 — — US disclosed
WO-2012150231-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 — — WO 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-20120283254-A1 NOVEL BENZOFURANE-PIPERIDINE COMPOUNDS HTR2A, HTR2C, HTR1E HTR2A 1/4885DRD3 32/4885DRD2 21/4885

“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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