SCHEMBL9934196

SCHEMBL9934196

c1coc2ccc(C3CCNCC3)c-2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.44
ADRB2 P07550 1/20 0.41
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CUL4A Q13619 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL8372303 0.71 CHRM5 (0.52) HTR2CSLC18A3SIGMAR1
SCHEMBL23228755 0.69 ADRA1A (0.54) HTR2C
SCHEMBL3121349 0.68 HTR2C (0.56) HTR2CSLC18A3SIGMAR1
SCHEMBL30493303 0.67 HTR2C (0.72) HTR2CADRB2SLC18A3SIGMAR1
SCHEMBL8129972 0.67 HTR1A (0.35) FYN
SCHEMBL11336133 0.67 HTR2C (0.41) HTR2CSLC18A3SIGMAR1
SCHEMBL11331389 0.67 HTR2C (0.41) HTR2CSLC18A3SIGMAR1
SCHEMBL27573802 0.67 GABRA1 (0.53) HTR2CADRB2
SCHEMBL23442881 0.67 HTR2C (0.47) HTR2CADRB2SLC18A3SIGMAR1
SCHEMBL9934194 0.67 HTR2C (0.47) HTR2CADRB2

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 5 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 disclosed
EP-2651929-A1 NOVEL BENZOFURANE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
CN-103261190-A Novel benzofurane compounds HOFFMANN LA ROCHE 2013-08-21 CN 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 HTR2C 6/4885ADRB2 61/4885SLC18A3 1262/4885

“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.