SCHEMBL5035795

SCHEMBL5035795

COC[C@H]1CCCN1c1cc(C)nc2cc(OCc3ccc(C#N)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.44
MAOB P27338 5/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOA P21397 3/20 0.40
CYP3A4 P08684 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
METAP2 P50579 1/20 0.38
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
PRKDC P78527 1/20 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
SCHEMBL5037398 1.00 SPHK2 (0.44) SPHK2MAOBROCK2ROCK1CDC42BPB
SCHEMBL5035796 1.00 SPHK2 (0.44) SPHK2MAOBROCK2ROCK1CDC42BPB
SCHEMBL5035995 0.91 SPHK2 (0.53) SPHK2MAOBSCN7AKCNH2MAOA
SCHEMBL5035994 0.91 SPHK2 (0.53) SPHK2MAOBSCN7AKCNH2MAOA
SCHEMBL5040525 0.91 SPHK2 (0.53) SPHK2MAOBSCN7AKCNH2MAOA
SCHEMBL5036019 0.90 EGLN2 (0.44) SPHK2MAOBSCN7AKCNH2MAOA
SCHEMBL5036021 0.90 EGLN2 (0.44) SPHK2MAOBSCN7AKCNH2MAOA
SCHEMBL5037521 0.89 KCNH2 (0.42) SPHK2KCNH2CYP3A4
SCHEMBL5037522 0.89 KCNH2 (0.42) SPHK2KCNH2CYP3A4
Hydrochloric Acid SCHEMBL6377875 0.89 EGLN2 (0.43) SPHK2MAOBSCN7AKCNH2MAOA

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 1279/4885ROCK2 1914/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R SPHK2 3483/4885MAOB 1279/4885ROCK2 1914/4885

“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.