SCHEMBL6069428

SCHEMBL6069428

N=C(N)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.55
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AA1 P07900 4/20 0.45

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
SCHEMBL792991 0.84 DAO (0.56) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL7702540 0.82 DAO (0.55) DAOPOLBMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL3925843 0.82 DAO (0.55) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL11691177 0.80 DAO (0.56) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL11431122 0.79 DAO (0.60) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL444120 0.78 DAO (0.58) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL14701887 0.76 DAO (0.56) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL2924922 0.76 DAO (0.56) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL7596452 0.76 DAO (0.56) DAOPOLBMEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL7428616 0.76 DAO (0.56) DAOPOLBMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987188-B2 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders DAX SCOTT 2006-01-17 US disclosed
US-20050054709-A1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders DAX SCOTT (US) 2005-03-10 US disclosed
US-6841552-B1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptide Y receptors ligands useful in the treatment of obesity and other disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-11 US disclosed
EP-1177172-A1 3a,4,5,9b-TETRAHYDRO-1H-BENZ e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-02-06 EP disclosed
WO-2000068197-A1 3a,4,5,9b-TETRAHYDRO-1H-BENZ[e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-16 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 (1 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-20050054709-A1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders NPY1R, NPY4R, NPY2R DAO 564/4885POLB 4449/4885MEN1 2463/4885

“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.