SCHEMBL274872

SCHEMBL274872

CCN(CC)CCC1=CC(=O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
PDE4B Q07343 1/20 0.32
KMT2A Q03164 2/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL274458 0.88 DRD2 (0.35) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL276375 0.85 SIGMAR1 (0.34) KMT2AMEN1KDM4E
SCHEMBL1376734 0.80 AOC3 (0.36) SMN1; SMN2ALDH1A1MAPT
SCHEMBL3936524 0.79 MAPT (0.38) ALDH1A1MAPTKMT2AMEN1
SCHEMBL275273 0.78 DRD2 (0.48)
SCHEMBL4869101 0.76 MAPT (0.35) ALDH1A1MAPTKMT2AACHEMEN1
SCHEMBL3938297 0.74
SCHEMBL3505646 0.74 GPR84 (0.40) KMT2AACHE
SCHEMBL6282240 0.73 GPR84 (0.42) ACHE
SCHEMBL4865720 0.72 ALOX5 (0.34) SMN1; SMN2ALDH1A1MAPTKMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4819280-B2 2011-11-24 JP claimed
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
JP-2004500426-A 2004-01-08 JP 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
EP-1274411-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE Axon Biochemicals B.V. (NL) 2003-01-15 EP claimed
WO-2001078713-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE AXON BIOCHEMICALS B.V. (NL) 2001-10-25 WO 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
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

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 SMN1; SMN2 1153/4885ALDH1A1 778/4885MAPT 2621/4885
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B SMN1; SMN2 1168/4885ALDH1A1 852/4885MAPT 2561/4885

“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.