SCHEMBL275274

SCHEMBL275274

CCCN(CCC1=CC(=O)CCC1)C(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM5 P08912 1/20 0.31
ALOX5 P09917 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL1376735 0.80 MEN1 (0.33) MAPTPOLBMEN1KMT2ASIGMAR1
SCHEMBL1376734 0.77 AOC3 (0.36) MAPTSIGMAR1
SCHEMBL8433120 0.76 HTR2A (0.47) BCHEALOX5SIGMAR1
SCHEMBL275273 0.75 DRD2 (0.48) POLBSIGMAR1
SCHEMBL274458 0.73 DRD2 (0.35) MAPTMEN1KMT2ASIGMAR1
SCHEMBL3936524 0.69 MAPT (0.38) MAPTPOLBMEN1KMT2A
SCHEMBL274872 0.69 SMN1; SMN2 (0.33) MAPTMEN1KMT2A
SCHEMBL9609548 0.67 POLB (0.51) MAPTPOLBMEN1KMT2A
SCHEMBL4869101 0.66 MAPT (0.35) MAPTPOLBMEN1KMT2AALOX5
SCHEMBL25900926 0.65 MAPK1 (0.36) MAPTMEN1KMT2A

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
EP-1274411-B1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE LUNDBECK & CO AS H (DK) 2005-07-27 EP claimed
US-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use AXON BIOCHEMICALS B.V. (NL) 2004-07-15 US claimed
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2003-05-08 US claimed
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 MAPT 2621/4885POLB 887/4885BCHE 32/4885
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B MAPT 2561/4885POLB 897/4885BCHE 36/4885

“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.