SCHEMBL5035939

SCHEMBL5035939

Cc1cc(N2CCCC2)c2ccc(OCc3cccc(Cl)c3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.50
NCF1 P14598 2/20 0.49
MAOA P21397 4/20 0.46
ACHE P22303 1/20 0.46
METTL3 Q86U44 2/20 0.45
HTR6 P50406 1/20 0.45
GRM5 P41594 1/20 0.44
SRD5A1 P18405 1/20 0.44
PRKDC P78527 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5040556 0.99 NCF1 (0.51) MAOBNCF1MAOAACHEMETTL3
Hydrochloric Acid SCHEMBL5036152 0.99 MAOB (0.49) MAOBNCF1MAOAACHEMETTL3
Hydrochloric Acid SCHEMBL5042697 0.98 NCF1 (0.50) MAOBNCF1MAOAACHEMETTL3
SCHEMBL5033331 0.88 NCF1 (0.49) MAOBNCF1MAOAACHESRD5A1
SCHEMBL5033351 0.88 NCF1 (0.61) NCF1
SCHEMBL5037494 0.88 NCF1 (0.49) MAOBNCF1ACHEMETTL3PRKDC
Hydrochloric Acid SCHEMBL5040401 0.87 NCF1 (0.48) MAOBNCF1MAOAACHESRD5A1
SCHEMBL5037686 0.87 NCF1 (0.51) MAOBNCF1MAOAACHESRD5A1
SCHEMBL5037448 0.87 NCF1 (0.63) NCF1KDM4E
Hydrochloric Acid SCHEMBL5037498 0.87 NCF1 (0.48) MAOBNCF1ACHEMETTL3PRKDC

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
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP claimed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US claimed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US claimed
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
EP-1395564-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 EP disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002094789-A1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885NCF1 1052/4885MAOA 1633/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885NCF1 1052/4885MAOA 1633/4885

“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.