SCHEMBL9688445

SCHEMBL9688445

COc1ccc2c(c1)[C@@H](O)[C@H](N)CC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
ACHE P22303 1/20 0.49
MTNR1A P48039 4/20 0.49
CYP19A1 P11511 3/20 0.48
CYP11B1 P15538 1/20 0.48
MTNR1B P49286 4/20 0.47
NQO2 P16083 3/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL13363972 1.00 DRD2 (0.53) DRD2DRD3ACHEMTNR1ACYP19A1
SCHEMBL4637019 0.84 DRD2 (0.47) DRD2DRD3ACHEHTR2AHTR2C
SCHEMBL10321961 0.84 DRD2 (0.47) DRD2DRD3ACHEHTR2AHTR2C
SCHEMBL30715531 0.81 MTNR1A (0.49) DRD2DRD3MTNR1ACYP19A1CYP11B1
SCHEMBL30715541 0.81 MTNR1A (0.49) DRD2DRD3MTNR1ACYP19A1CYP11B1
SCHEMBL4132717 0.81 MTNR1A (0.49) DRD2DRD3MTNR1ACYP19A1CYP11B1
SCHEMBL30563659 0.80 ACHE (0.60) DRD2DRD3ACHECYP19A1CYP11B1
SCHEMBL326892 0.80 MTNR1A (0.54) DRD2DRD3MTNR1ACYP19A1CYP11B1
SCHEMBL30563644 0.80 ACHE (0.60) DRD2DRD3ACHECYP19A1CYP11B1
SCHEMBL2463469 0.80 ACHE (0.60) DRD2DRD3ACHECYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110217234-A1 IMAGING LIGANDS GENERAL ELECTRIC COMPANY 2011-09-08 US disclosed
WO-2010059905-A2 IMAGING LIGANDS GENERAL ELECTRIC COMPANY (US) 2010-05-27 WO disclosed
EP-0179855-B1 DOPAMINE AGONISTS Whitby Research Incorporated (US) 1992-07-29 EP disclosed
EP-0179855-A4 DOPAMINE AGONISTS. NELSON RES & DEV COMPANY (US) 1986-08-21 EP disclosed
EP-0179855-A1 DOPAMINE AGONISTS. NELSON RES & DEV (US) 1986-05-07 EP disclosed
WO-1985004582-A1 NOVEL DOPAMINE AGONISTS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1985-10-24 WO disclosed
US-4540691-A Dopamine agonists and use thereof NELSON RESEARCH & DEVELOPMENT CO. (US) 1985-09-10 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-20110217234-A1 IMAGING LIGANDS DRD2, SLC6A3, DRD3 DRD2 1/4885DRD3 3/4885ACHE 2946/4885

“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.