SCHEMBL1361359

SCHEMBL1361359

CC(C)(C)OC(=O)N1CCO[C@@H]2Cc3c(ccc4c3OCO4)C[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.42
DRD1 P21728 5/20 0.36
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
SCD5 Q86SK9 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR183 P32249 1/20 0.34
OPRK1 P41145 1/20 0.33
UCHL1 P09936 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL51116 0.82 DRD2 (0.59) DRD2DRD1TSHRMEN1KMT2A
SCHEMBL1559611 0.81 DRD2 (0.46) DRD2DRD1
SCHEMBL1559613 0.81 DRD2 (0.46) DRD2DRD1
SCHEMBL1362677 0.81 DRD2 (0.46) DRD2DRD1
SCHEMBL4551311 0.79 DRD2 (0.62) DRD2DRD1UCHL1
SCHEMBL4551313 0.79 DRD2 (0.62) DRD2DRD1UCHL1
SCHEMBL1360527 0.79 DRD2 (0.62) DRD2DRD1UCHL1
SCHEMBL1360447 0.79 DRD2 (0.41) DRD2DRD1TSHROPRK1ALDH1A1
SCHEMBL4552915 0.79 DRD2 (0.41) DRD2DRD1TSHROPRK1ALDH1A1
SCHEMBL4552914 0.79 DRD2 (0.41) DRD2DRD1TSHROPRK1ALDH1A1

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-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
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 515/4885CYP2D6 193/4885

“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.