SCHEMBL4552914

SCHEMBL4552914

CC(C)(C)OC(=O)N1CCO[C@@H]2Cc3c(ccc(C=O)c3O)CC21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.41
DRD1 P21728 6/20 0.39
OPRK1 P41145 1/20 0.33
ESR2 Q92731 1/20 0.33
NR1H2 P55055 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
ADRB2 P07550 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1360447 1.00 DRD2 (0.41) DRD2DRD1OPRK1ESR2NR1H2
SCHEMBL4552915 1.00 DRD2 (0.41) DRD2DRD1OPRK1ESR2NR1H2
SCHEMBL1362677 0.87 DRD2 (0.46) DRD2DRD1ESR2NR1H2
SCHEMBL1559613 0.87 DRD2 (0.46) DRD2DRD1ESR2NR1H2
SCHEMBL1559611 0.87 DRD2 (0.46) DRD2DRD1ESR2NR1H2
SCHEMBL1560073 0.86 DRD2 (0.42) DRD2DRD1ALDH1A1POLBADRB2
SCHEMBL1560069 0.86 DRD2 (0.42) DRD2DRD1ALDH1A1POLBADRB2
SCHEMBL4551311 0.81 DRD2 (0.62) DRD2DRD1
SCHEMBL4551313 0.81 DRD2 (0.62) DRD2DRD1
SCHEMBL1360527 0.81 DRD2 (0.62) DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 210/4885DRD1 515/4885OPRK1 96/4885

“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.