SCHEMBL5042779

SCHEMBL5042779

Cc1cc(N2CC[C@@H](O)C2)c2ccc(OCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRKDC P78527 2/20 0.40
HRH3 Q9Y5N1 4/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
MMP1 P03956 1/20 0.40
ADAM17 P78536 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
ALOX5AP P20292 2/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL5042786 1.00 MAOB (0.42) MAOBSCN7AKCNH2PRKDCHRH3
SCHEMBL5042788 1.00 MAOB (0.42) MAOBSCN7AKCNH2PRKDCHRH3
Hydrochloric Acid SCHEMBL5491464 0.99 MAOB (0.41) MAOBSCN7AKCNH2PRKDCHRH3
Hydrochloric Acid SCHEMBL5491468 0.99 MAOB (0.41) MAOBSCN7AKCNH2PRKDCHRH3
SCHEMBL5042749 0.88 PDE3B (0.43) MAOBSCN7AKCNH2PRKDCHRH3
SCHEMBL6370998 0.88 PDE3B (0.43) MAOBSCN7AKCNH2PRKDCHRH3
SCHEMBL5036125 0.88 NCF1 (0.45) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL5033346 0.88 NCF1 (0.45) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL5033338 0.88 NCF1 (0.45) MAPTRAB9AKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6370732 0.88 PDE3B (0.42) MAOBSCN7AKCNH2PRKDCSPHK2

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
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
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 1279/4885SCN7A 1233/4885KCNH2 3289/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885SCN7A 1233/4885KCNH2 3289/4885

“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.