SCHEMBL5523009

SCHEMBL5523009

Cc1cc(N2CCCC2CO)c2ccc(COc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.49
HRH3 Q9Y5N1 3/20 0.42
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
NOS3 P29474 3/20 0.38
NOS1 P29475 3/20 0.38
CMKLR1 Q99788 1/20 0.38
MAOB P27338 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
METAP2 P50579 1/20 0.37
ACVR1 Q04771 1/20 0.37
PDE2A O00408 1/20 0.37
SPHK1 Q9NYA1 3/20 0.37
MAOA P21397 1/20 0.37
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
SCHEMBL5523005 1.00 SPHK2 (0.49) SPHK2HRH3SCN7AKCNH2NOS3
SCHEMBL5040525 0.96 SPHK2 (0.53) SPHK2HRH3SCN7AKCNH2NOS3
SCHEMBL5035995 0.96 SPHK2 (0.53) SPHK2HRH3SCN7AKCNH2NOS3
SCHEMBL5035994 0.96 SPHK2 (0.53) SPHK2HRH3SCN7AKCNH2NOS3
SCHEMBL5529499 0.91 SPHK2 (0.41) SPHK2NOS3NOS1MAOBACVR1
SCHEMBL5529495 0.91 SPHK2 (0.41) SPHK2NOS3NOS1MAOBACVR1
SCHEMBL6377060 0.87 SPHK2 (0.41) SPHK2SCN7AKCNH2ACVR1SPHK1
SCHEMBL5042856 0.87 SPHK2 (0.41) SPHK2SCN7AKCNH2ACVR1SPHK1
SCHEMBL5035795 0.87 SPHK2 (0.44) SPHK2HRH3SCN7AKCNH2NOS3
SCHEMBL5035796 0.87 SPHK2 (0.44) SPHK2HRH3SCN7AKCNH2NOS3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
CN-1289087-C Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity KLUG MICHAEL G 2006-07-06 US disclosed
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US disclosed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US disclosed
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
CN-1607951-A Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2005-04-20 CN disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
US-6787558-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS, FOR TREATING ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS AND OBESITY HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 WO 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN SPHK2 2908/4885HRH3 1061/4885SCN7A 863/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R SPHK2 1818/4885HRH3 1682/4885SCN7A 2263/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN SPHK2 2908/4885HRH3 1061/4885SCN7A 863/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R SPHK2 2539/4885HRH3 1906/4885SCN7A 2349/4885

“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.