SCHEMBL9934129

SCHEMBL9934129

O=C(NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1)C1CCOCC1

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 18/20 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
SCHEMBL9934124 1.00 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9934591 0.89 DRD2 (1.00) HTR2ADRD3DRD2
SCHEMBL9934593 0.89 DRD2 (1.00) HTR2ADRD3DRD2
SCHEMBL9933412 0.87 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933414 0.87 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9933999 0.86 DRD2 (1.00) HTR2ADRD3DRD2
SCHEMBL9933997 0.86 DRD2 (1.00) HTR2ADRD3DRD2
SCHEMBL9934877 0.81 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9934874 0.81 HTR2A (1.00) HTR2ADRD3DRD2
SCHEMBL9970493 0.78 DRD2 (0.69) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877778-B2 Benzofurane compounds HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US claimed
EP-2651929-A1 NOVEL BENZOFURANE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP claimed
US-20120157449-A1 BENZOFURANE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-21 US claimed
WO-2012080149-A1 NOVEL BENZOFURANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO claimed
US-8877778-B2 Benzofurane compounds HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US disclosed
EP-2651929-A1 NOVEL BENZOFURANE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20120157449-A1 BENZOFURANE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-21 US disclosed
WO-2012080149-A1 NOVEL BENZOFURANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 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-20120157449-A1 BENZOFURANE COMPOUNDS HTR3A, HTR3C, HTR2A HTR2A 3/4885DRD3 31/4885DRD2 37/4885

“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.