SCHEMBL5042771

SCHEMBL5042771

Cc1cc(N2CCCC2)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
NCF1 P14598 2/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MITF O75030 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKD3 O94806 1/20 0.43
S1PR1 P21453 1/20 0.43
CDK7 P50613 1/20 0.43
JAK3 P52333 1/20 0.43
TNK2 Q07912 1/20 0.43
S1PR5 Q9H228 1/20 0.43
NR4A2 P43354 2/20 0.43
NPY5R Q15761 1/20 0.42
BTK Q06187 1/20 0.42

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
Hydrochloric Acid SCHEMBL5033344 0.99 MAOB (0.48) MAOBNCF1MAPTPOLBHTT
SCHEMBL5514802 0.92 NCF1 (0.46) MAOBNCF1L3MBTL1MEN1KMT2A
SCHEMBL5518704 0.91 NCF1 (0.48) MAOBNCF1L3MBTL1MEN1KMT2A
SCHEMBL5042820 0.89 NCF1 (0.46) MAOBNCF1MEN1KMT2A
Hydrochloric Acid SCHEMBL5040609 0.88 NCF1 (0.46) MAOBNCF1MEN1KMT2A
SCHEMBL5514944 0.87 NCF1 (0.46) MAOBNCF1MEN1KMT2A
SCHEMBL5033351 0.85 NCF1 (0.61) NCF1MAPTHTTNPY5R
SCHEMBL5037494 0.85 NCF1 (0.49) MAOBNCF1MAPTHTTMEN1
SCHEMBL5035939 0.85 MAOB (0.50) MAOBNCF1
SCHEMBL5037448 0.84 NCF1 (0.63) NCF1MAPTHTTL3MBTL1NPY5R

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 6 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 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 1052/4885MAPT 3753/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885NCF1 1052/4885MAPT 3753/4885

“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.