SCHEMBL7743356

SCHEMBL7743356

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.56
DRD3 P35462 3/20 0.56
HTR1A P08908 2/20 0.48
CHRM2 P08172 3/20 0.48
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
DRD4 P21917 2/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP19A1 P11511 1/20 0.46
ADRA1A P35348 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
SCHEMBL7742038 1.00 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL1360485 1.00 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL1361933 1.00 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL1361937 1.00 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL10755593 0.94 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL8726543 0.94 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL16482975 0.86 DRD2 (0.54) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL14545524 0.86 DRD2 (0.54) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL11604211 0.81 ADRA1A (0.62) DRD2DRD3CYP1A2MAPTADRA1A
SCHEMBL11605262 0.81 ADRA1A (0.62) DRD2DRD3CYP1A2MAPTADRA1A

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 2 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-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 210/4885DRD3 401/4885HTR1A 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.