SCHEMBL274016

SCHEMBL274016

CCCNCCc1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
CYP19A1 P11511 1/20 0.52
SIGMAR1 Q99720 4/20 0.47
PRMT1 Q99873 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
NOS1 P29475 5/20 0.41
NOS3 P29474 2/20 0.41
TAAR1 Q96RJ0 3/20 0.40

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
SCHEMBL8250821 0.87 MAOA (0.55) MAOAMAOBCYP19A1SIGMAR1PRMT1
Hydrochloric Acid SCHEMBL6963288 0.86 MAOA (0.56) MAOAMAOBCYP19A1SIGMAR1PRMT1
SCHEMBL10647662 0.85 MAOA (0.50) MAOAMAOBCYP19A1SIGMAR1PRMT1
SCHEMBL10646745 0.83 CYP19A1 (0.46) MAOAMAOBCYP19A1SIGMAR1PRMT1
SCHEMBL10558685 0.81 SIGMAR1 (0.44) MAOAMAOBCYP19A1SIGMAR1
Hydrochloric Acid SCHEMBL17982616 0.81 MAOA (0.55) MAOAMAOBCYP19A1SIGMAR1PRMT1
SCHEMBL10559386 0.81 MAOA (0.43) MAOAMAOBCYP19A1SIGMAR1PRMT1
SCHEMBL379137 0.81 MAOA (0.65) MAOAMAOBCYP19A1SIGMAR1TAAR1
SCHEMBL29403245 0.81 MAOA (0.65) MAOAMAOBCYP19A1SIGMAR1TAAR1
SCHEMBL7982085 0.79 TAAR1 (0.61) MAOAMAOBCYP19A1PRMT1NOS1

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 9 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

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 MAOA 116/4885MAOB 54/4885CYP19A1 816/4885
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B MAOA 114/4885MAOB 54/4885CYP19A1 898/4885

“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.