SCHEMBL275896

SCHEMBL275896

CCCc1ccc2c3c1C1=C(CCCC1=O)CC3N(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.44
DRD1 P21728 3/20 0.43
DRD3 P35462 3/20 0.43
HTR1A P08908 9/20 0.42
HTR7 P34969 3/20 0.39
ADRA2A P08913 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL276490 0.75 DRD2 (0.60) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL15847729 0.61 DRD2 (0.72) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL2572451 0.58 DRD2 (0.71) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL3265051 0.57 DRD2 (0.72) DRD2DRD1DRD3HTR1AADRA2A
SCHEMBL30004318 0.57 DRD2 (0.72) DRD2DRD1DRD3HTR1AADRA2A
SCHEMBL2554856 0.57 DRD2 (0.72) DRD2DRD1DRD3HTR1AADRA2A
SCHEMBL20249975 0.57 DRD2 (0.56) DRD2DRD1DRD3HTR1AHTR7
SCHEMBL18134422 0.57 DRD2 (0.83) DRD2DRD1DRD3HTR1AADRA2A
SCHEMBL17299377 0.56 ALDH1A1 (0.64) DRD2DRD1DRD3HTR1AADRA2A
SCHEMBL17289305 0.56 ALDH1A1 (0.64) DRD2DRD1DRD3HTR1AADRA2A

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 7 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

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 9/4885DRD1 12/4885DRD3 18/4885
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B DRD2 9/4885DRD1 13/4885DRD3 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.