SCHEMBL4516115

SCHEMBL4516115

Oc1cccc(N2CCN(CCF)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.72
OPRM1 P35372 1/20 0.63
DRD3 P35462 1/20 0.61
HTR7 P34969 12/20 0.58
KCNH2 Q12809 2/20 0.49

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
SCHEMBL1598706 0.85 DRD2 (0.74) DRD2OPRM1DRD3HTR7KCNH2
SCHEMBL7240053 0.84 DRD2 (0.72) DRD2OPRM1DRD3HTR7KCNH2
SCHEMBL3453730 0.84 DRD2 (1.00) DRD2OPRM1DRD3HTR7
SCHEMBL3187228 0.83 DRD2 (0.67) DRD2OPRM1DRD3HTR7KCNH2
SCHEMBL9723025 0.82 DRD2 (0.68) DRD2OPRM1DRD3HTR7
Hydrochloric Acid SCHEMBL3196389 0.82 OPRM1 (0.65) DRD2OPRM1DRD3HTR7KCNH2
SCHEMBL28662734 0.81 DRD2 (0.83) DRD2OPRM1DRD3HTR7KCNH2
SCHEMBL2388166 0.80 DRD2 (0.71) DRD2OPRM1DRD3HTR7
SCHEMBL1599712 0.80 DRD2 (0.77) DRD2OPRM1DRD3HTR7
SCHEMBL2466774 0.78 OPRM1 (1.00) DRD2OPRM1DRD3HTR7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569337-B2 Labeling brain tissues in vivo or in vitro; 3-Benzothiazol-2-yl-7-[4-(2-fluoro-ethyl)-piperazin-1-yl]-chromen-2-one; diagnosis, monitoring the effectiveness of a therapeutic treatment and detecting histopathological hallmarks of Alzheimer's disease NOVARTIS AG (CH) 2009-08-04 US disclosed
EP-1483262-B1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-20050169837-A1 Coumarines useful as biomarkers NOVARTIS AG (CH) 2005-08-04 US disclosed
CN-1628114-A Coumarines useful as biomarkers NOVARTIS AG (CH) 2005-06-15 CN disclosed
EP-1483262-A1 COUMARINES USEFUL AS BIOMARKERS Novartis AG (CH) 2004-12-08 EP disclosed
WO-2003074519-A1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2003-09-12 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-20050169837-A1 Coumarines useful as biomarkers CCNB1, CBR1, CYP1A1 DRD2 3105/4885OPRM1 1523/4885DRD3 2361/4885

“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.