SCHEMBL9934153

SCHEMBL9934153

c1cc2c(c(C3CCNCC3)c1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
DRD2 P14416 12/20 0.45
HTR2A P28223 12/20 0.45
DRD3 P35462 12/20 0.45
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
CDK2 P24941 1/20 0.42
KDR P35968 1/20 0.42
SLC9A1 P19634 3/20 0.42

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
SCHEMBL6677973 0.88 DRD2 (0.49) DRD2HTR2ADRD3SLC9A1
SCHEMBL8548879 0.79 ADRB1 (0.50) HTR2C
SCHEMBL614437 0.74 HTR1A (0.46) HTR2C
SCHEMBL9977563 0.73 DRD2 (0.62) DRD2HTR2ADRD3
SCHEMBL24120085 0.73 HTR2C (0.51) HTR2C
SCHEMBL19699408 0.73 SLC9A1 (0.46) DRD2HTR2ADRD3SLC9A1
SCHEMBL19690310 0.73 SLC9A1 (0.46) DRD2HTR2ADRD3SLC9A1
SCHEMBL17781855 0.73 SLC9A1 (0.46) DRD2HTR2ADRD3SLC9A1
SCHEMBL12081257 0.72 HTR2C (0.47) HTR2CDRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL23780213 0.71 HTR2C (0.53) HTR2C

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 6/4885DRD2 37/4885HTR2A 3/4885

“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.