SCHEMBL1362136

SCHEMBL1362136

COc1cccc2c1C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.47
DRD1 P21728 4/20 0.45
HTR1A P08908 9/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL1362134 1.00 DRD2 (0.47) DRD2DRD1HTR1AHSD11B1
SCHEMBL8363249 1.00 DRD2 (0.47) DRD2DRD1HTR1AHSD11B1
SCHEMBL1362132 1.00 DRD2 (0.47) DRD2DRD1HTR1AHSD11B1
SCHEMBL4551311 0.88 DRD2 (0.62) DRD2DRD1HTR1AHSD11B1
SCHEMBL1360527 0.88 DRD2 (0.62) DRD2DRD1HTR1AHSD11B1
SCHEMBL4551313 0.88 DRD2 (0.62) DRD2DRD1HTR1AHSD11B1
SCHEMBL8731962 0.83 DRD2 (0.44) DRD2DRD1HTR1A
SCHEMBL1362677 0.80 DRD2 (0.46) DRD2DRD1HSD11B1
SCHEMBL1559611 0.80 DRD2 (0.46) DRD2DRD1HSD11B1
SCHEMBL1559613 0.80 DRD2 (0.46) DRD2DRD1HSD11B1

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-8067410-B2 Phenolic and catecholic amines and prodrugs thereof H. LUNDBECK A/S (DK) 2011-11-29 US disclosed
US-8067410-B2 Phenolic and catecholic amines and prodrugs thereof H. LUNDBECK A/S (DK) 2011-11-29 US disclosed
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
US-20090325946-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-12-31 US disclosed
US-20090325946-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-12-31 US disclosed
WO-2009156458-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-12-30 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-20090325946-A1 NOVEL PHENOLIC AND CATECHOLIC AMINES AND PRODRUGS THEREOF COMT, PNMT, TYR DRD2 210/4885DRD1 515/4885HTR1A 101/4885

“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.