SCHEMBL5042726

SCHEMBL5042726

Cc1cc(N2CCC[C@H]2C)c2ccc(OCc3ccc(C#N)cc3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
SPHK2 Q9NRA0 1/20 0.42
HRH3 Q9Y5N1 8/20 0.40
MAOA P21397 3/20 0.40
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN7A Q01118 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
PRKDC P78527 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL5042722 1.00 MAOB (0.42) MAOBSPHK2HRH3MAOACYP3A4
SCHEMBL5035994 0.88 SPHK2 (0.53) MAOBSPHK2HRH3MAOACYP3A4
SCHEMBL5035795 0.88 SPHK2 (0.44) MAOBSPHK2HRH3MAOACYP3A4
SCHEMBL5037398 0.88 SPHK2 (0.44) MAOBSPHK2HRH3MAOACYP3A4
SCHEMBL5035995 0.88 SPHK2 (0.53) MAOBSPHK2HRH3MAOACYP3A4
SCHEMBL5040628 0.88 HRH3 (0.42) MAOBSPHK2HRH3MAOACYP3A4
SCHEMBL5040630 0.88 HRH3 (0.42) MAOBSPHK2HRH3MAOACYP3A4
SCHEMBL5035796 0.88 SPHK2 (0.44) MAOBSPHK2HRH3MAOACYP3A4
SCHEMBL5040525 0.88 SPHK2 (0.53) MAOBSPHK2HRH3MAOACYP3A4
Hydrochloric Acid SCHEMBL5040489 0.88 HRH3 (0.42) MAOBSPHK2HRH3MAOACYP3A4

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 MAOB 1279/4885SPHK2 3483/4885HRH3 301/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885SPHK2 3483/4885HRH3 301/4885

“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.