SCHEMBL6133948

SCHEMBL6133948

Oc1ccc2c(c1)C[C@@H](NCc1ccccc1)CC2

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.71
DRD3 P35462 4/20 0.63
DRD2 P14416 4/20 0.63
DRD4 P21917 2/20 0.63
FYN P06241 1/20 0.62
SLC6A5 Q9Y345 2/20 0.60
SIGMAR1 Q99720 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL9304253 1.00 GRIN2B (0.71) GRIN2BDRD3DRD2DRD4FYN
SCHEMBL9306071 1.00 GRIN2B (0.71) GRIN2BDRD3DRD2DRD4FYN
Bromide SCHEMBL9304413 0.99 GRIN2B (0.69) GRIN2BDRD3DRD2DRD4FYN
Bromide SCHEMBL9303647 0.99 GRIN2B (0.69) GRIN2BDRD3DRD2DRD4FYN
Bromide SCHEMBL9304418 0.99 GRIN2B (0.69) GRIN2BDRD3DRD2DRD4FYN
SCHEMBL5142005 0.92 GRIN2B (0.59) GRIN2BDRD3DRD2DRD4FYN
SCHEMBL8765625 0.92 GRIN2B (0.59) GRIN2BDRD3DRD2DRD4FYN
Hydrochloric Acid SCHEMBL8765161 0.91 GRIN2B (0.58) GRIN2BDRD3DRD2DRD4FYN
SCHEMBL8765804 0.91 GRIN2B (0.58) GRIN2BDRD3DRD2DRD4FYN
Hydrochloric Acid SCHEMBL5144064 0.91 GRIN2B (0.58) GRIN2BDRD3DRD2DRD4FYN

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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 WO disclosed
US-5312961-A 2-amino-7-hydroxytetralin carboxylalkyl ethers ELF SANOFI (FR) 1994-05-17 US disclosed
EP-0347313-B1 2-Amino-7-hydroxytetraline ethers SANOFI ELF (FR) 1993-12-15 EP disclosed
EP-0383686-B1 2-AMINO-7-HYDROXYTETRALINE CARBOXYALKYL ETHERS ELF SANOFI (FR) 1993-08-04 EP disclosed
EP-0383686-A1 2-Amino-7-hydroxytetraline carboxyalkyl ethers ELF SANOFI (FR) 1990-08-22 EP disclosed
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 EP 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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 GRIN2B 2473/4885DRD3 113/4885DRD2 130/4885

“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.