SCHEMBL276490

SCHEMBL276490

CCCc1ccc2c3c1-c1ccccc1CC3N(C)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.60
HTR1A P08908 7/20 0.59
DRD3 P35462 1/20 0.56
MEN1 O00255 1/20 0.55
APAF1 O14727 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55
KMT2A Q03164 1/20 0.55
DYRK1A Q13627 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR7 P34969 2/20 0.54
DRD1 P21728 3/20 0.53
PNPLA2 Q96AD5 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL2572451 0.80 DRD2 (0.71) DRD2HTR1ADRD3ADRA1AHTR7
SCHEMBL30004318 0.79 DRD2 (0.72) DRD2HTR1ADRD3MEN1POLB
SCHEMBL3265051 0.79 DRD2 (0.72) DRD2HTR1ADRD3MEN1POLB
SCHEMBL2554856 0.79 DRD2 (0.72) DRD2HTR1ADRD3MEN1POLB
SCHEMBL32690196 0.77 DRD2 (0.73) DRD2HTR1AHTR7DRD1PNPLA2
SCHEMBL11238259 0.77 DRD2 (0.73) DRD2HTR1AHTR7DRD1PNPLA2
SCHEMBL275896 0.75 DRD2 (0.44) DRD2HTR1ADRD3ADRA1AHTR7
SCHEMBL25173335 0.75 DRD2 (1.00) DRD2HTR1ADRD3MEN1GAA
SCHEMBL59765 0.75 DRD2 (1.00) DRD2HTR1ADRD3MEN1GAA
SCHEMBL31079473 0.75 DRD2 (1.00) DRD2HTR1ADRD3MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43244-E1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
US-RE42802-E1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2011-10-04 US disclosed
US-6998405-B2 Parkinson's and Huntington's disease; psychoses, impotence, renal or heart failure, schizophrenia H. LUNDBECK A/S (DK) 2006-02-14 US disclosed
EP-1274411-B1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE LUNDBECK & CO AS H (DK) 2005-07-27 EP disclosed
US-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use AXON BIOCHEMICALS B.V. (NL) 2004-07-15 US disclosed
US-6683087-B2 TREATMENT OF PARKINSON'S DISEASE, PSYCHOSES, HUNTINGTON'S DISEASE, IMPOTENCE, RENAL FAILURE, HEART FAILURE OR HYPERTENSION AXON BIOCHEMICALS B.V. (NL) 2004-01-27 US disclosed
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2003-05-08 US disclosed
EP-1274411-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE Axon Biochemicals B.V. (NL) 2003-01-15 EP disclosed
WO-2001078713-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE AXON BIOCHEMICALS B.V. (NL) 2001-10-25 WO disclosed
US-4687773-A PSYCHOLOGICAL DISORDERS MCLEAN HOSPITAL (US) 1987-08-18 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 (2 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-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B DRD2 9/4885HTR1A 141/4885DRD3 18/4885
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B DRD2 9/4885HTR1A 139/4885DRD3 18/4885

“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.