SCHEMBL1360412

SCHEMBL1360412

CCCN[C@@H]1Cc2cccc(OC)c2C[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.62
DRD2 P14416 5/20 0.60
DRD3 P35462 4/20 0.60
DRD4 P21917 3/20 0.60
CYP1A2 P05177 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
HTR5A P47898 1/20 0.52
KMT2A Q03164 1/20 0.52
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48

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 1.00 HTR1A (0.62) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL1363371 0.82 DRD2 (0.61) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL1361408 0.79 MTNR1A (0.65) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL8363250 0.79 MTNR1A (0.65) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL1361403 0.79 MTNR1A (0.65) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL1361406 0.79 MTNR1A (0.65) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL14545524 0.78 DRD2 (0.54) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL16482975 0.78 DRD2 (0.54) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL8674965 0.78 HTR1A (0.64) HTR1ADRD2DRD3DRD4CYP1A2
SCHEMBL8672387 0.78 HTR1A (0.64) HTR1ADRD2DRD3DRD4CYP1A2

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 HTR1A 101/4885DRD2 210/4885DRD3 401/4885

“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.