SCHEMBL5035798

SCHEMBL5035798

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.39
MAOB P27338 3/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
PRKDC P78527 2/20 0.37
DRD4 P21917 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRM4 P08173 1/20 0.37
MAOA P21397 2/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RAB9A P51151 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
SCHEMBL5035799 1.00 SPHK2 (0.39) SPHK2MAOBPDE3BPDE3APDE10A
SCHEMBL5040535 0.92 PDE3B (0.40) SPHK2MAOBPDE3BPDE3APDE10A
SCHEMBL6377286 0.92 PDE3B (0.40) SPHK2MAOBPDE3BPDE3APDE10A
Hydrochloric Acid SCHEMBL6377873 0.91 PDE3B (0.40) SPHK2MAOBPDE3BPDE3APDE10A
Hydrochloric Acid SCHEMBL5040382 0.91 PDE3B (0.40) SPHK2MAOBPDE3BPDE3APDE10A
SCHEMBL5036288 0.91 MAOB (0.40) SPHK2MAOBPDE3BPDE3APDE10A
SCHEMBL5036285 0.91 MAOB (0.40) SPHK2MAOBPDE3BPDE3APDE10A
SCHEMBL5035790 0.90 PDE3B (0.39) SPHK2MAOBPDE3BPDE3APDE10A
SCHEMBL5035789 0.90 PDE3B (0.39) SPHK2MAOBPDE3BPDE3APDE10A
Hydrochloric Acid SCHEMBL5040524 0.90 MAOB (0.39) SPHK2MAOBPDE3BPDE3APDE10A

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 SPHK2 3483/4885MAOB 1279/4885PDE3B 1588/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R SPHK2 3483/4885MAOB 1279/4885PDE3B 1588/4885

“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.