SCHEMBL5033335

SCHEMBL5033335

Cc1cc(N2CCCCCC2)c2ccc(OCc3cccc(C#N)c3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
NCF1 P14598 3/20 0.48
HTR6 P50406 1/20 0.48
GRM5 P41594 3/20 0.45
MET P08581 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
METTL3 Q86U44 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
ALDH1A1 P00352 1/20 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
Hydrochloric Acid SCHEMBL5037520 0.99 MAOB (0.48) MAOBMAOANCF1HTR6GRM5
SCHEMBL5035825 0.99 MAOB (0.49) MAOBMAOANCF1HTR6GRM5
SCHEMBL5519997 0.92 NCF1 (0.48) MAOBMAOANCF1HTR6MET
SCHEMBL5522733 0.91 NCF1 (0.46) MAOBMAOANCF1HTR6MET
SCHEMBL5035944 0.89 HRH3 (0.48) MAOBMAOANCF1L3MBTL1ALDH1A1
SCHEMBL5037525 0.89 HRH3 (0.48) MAOBMAOANCF1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL5037489 0.88 HRH3 (0.47) MAOBMAOANCF1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL5042753 0.88 HRH3 (0.47) MAOBMAOANCF1L3MBTL1ALDH1A1
SCHEMBL5521397 0.88 NCF1 (0.49) MAOBMAOANCF1FFAR1L3MBTL1
SCHEMBL5518149 0.88 NCF1 (0.49) MAOBMAOANCF1FFAR1L3MBTL1

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 7 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-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 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
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US 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 1279/4885MAOA 1633/4885NCF1 1052/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885MAOA 1633/4885NCF1 1052/4885

“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.