SCHEMBL5040532

SCHEMBL5040532

Cc1cc(N2CC[C@H](OCC3CC3)C2)c2ccc(OCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MAOB P27338 6/20 0.39
MAOA P21397 4/20 0.38
PRKDC P78527 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
DRD4 P21917 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
CHRM4 P08173 1/20 0.38
CYP3A4 P08684 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36

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
SCHEMBL5040533 1.00 PDE3B (0.41) PDE3BPDE3APDE10AMAOBMAOA
Hydrochloric Acid SCHEMBL5035836 0.99 PDE3B (0.41) PDE3BPDE3APDE10AMAOBMAOA
Hydrochloric Acid SCHEMBL5035834 0.99 PDE3B (0.41) PDE3BPDE3APDE10AMAOBMAOA
SCHEMBL5036288 0.92 MAOB (0.40) PDE3BPDE3APDE10AMAOBMAOA
SCHEMBL5036285 0.92 MAOB (0.40) PDE3BPDE3APDE10AMAOBMAOA
Hydrochloric Acid SCHEMBL6377291 0.92 MAOB (0.39) PDE3BPDE3APDE10AMAOBMAOA
Hydrochloric Acid SCHEMBL5040524 0.92 MAOB (0.39) PDE3BPDE3APDE10AMAOBMAOA
SCHEMBL5042749 0.91 PDE3B (0.43) PDE3BPDE3APDE10AMAOBMAOA
SCHEMBL6370998 0.91 PDE3B (0.43) PDE3BPDE3APDE10AMAOBMAOA
SCHEMBL5035799 0.90 SPHK2 (0.39) PDE3BPDE3APDE10AMAOBMAOA

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 4 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
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 PDE3B 1588/4885PDE3A 1705/4885PDE10A 2282/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R PDE3B 1588/4885PDE3A 1705/4885PDE10A 2282/4885

“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.