SCHEMBL8365487

SCHEMBL8365487

Oc1cccc2c1C[C@@H](O)[C@H](NCc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.48
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
FUCA1 P04066 1/20 0.43
GRIN2B Q13224 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
CYP19A1 P11511 1/20 0.41
DRD4 P21917 1/20 0.39

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
SCHEMBL4825520 1.00 FYN (0.48) FYNDRD2DRD3FUCA1GRIN2B
SCHEMBL4823619 0.94 FYN (0.48) FYNDRD2DRD3FUCA1GRIN2B
SCHEMBL14193287 0.94 FYN (0.48) FYNDRD2DRD3FUCA1GRIN2B
SCHEMBL1363371 0.82 DRD2 (0.61) DRD2DRD3CYP19A1DRD4
SCHEMBL10043007 0.75 DRD2 (0.71) FYNDRD2DRD3GRIN2BDRD4
SCHEMBL11960199 0.75 DRD2 (0.71) FYNDRD2DRD3GRIN2BDRD4
SCHEMBL10043005 0.75 DRD2 (0.71) FYNDRD2DRD3GRIN2BDRD4
SCHEMBL11348519 0.73 DRD2 (0.41) DRD2DRD3DRD4
SCHEMBL11348522 0.73 DRD2 (0.41) DRD2DRD3DRD4
SCHEMBL11348526 0.73 DRD2 (0.41) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067410-B2 Phenolic and catecholic amines and prodrugs thereof H. LUNDBECK A/S (DK) 2011-11-29 US disclosed
US-20090325946-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-12-31 US 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-20090325946-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF COMT, PNMT, TYR FYN 3384/4885DRD2 210/4885DRD3 401/4885

“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.