SCHEMBL1363371

SCHEMBL1363371

COc1cccc2c1C[C@@H](O)[C@H](NCc1ccccc1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.61
HTR1A P08908 4/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL1361309 0.82 HTR1A (0.62) DRD2HTR1AADRA2AADRA2BADRA2C
SCHEMBL1360412 0.82 HTR1A (0.62) DRD2HTR1AADRA2AADRA2BADRA2C
SCHEMBL4825520 0.82 FYN (0.48) DRD2DRD4DRD3CYP19A1
SCHEMBL8365487 0.82 FYN (0.48) DRD2DRD4DRD3CYP19A1
SCHEMBL8074280 0.77 DRD2 (0.83) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL8074250 0.77 DRD2 (0.83) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL7543711 0.77 DRD2 (0.83) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL4823619 0.76 FYN (0.48) DRD2DRD4DRD3CYP19A1
SCHEMBL14193287 0.76 FYN (0.48) DRD2DRD4DRD3CYP19A1
SCHEMBL14545524 0.76 DRD2 (0.54) DRD2HTR1AADRA1ADRD4DRD3

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 210/4885HTR1A 101/4885ADRA2A 35/4885

“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.