SCHEMBL5033381

SCHEMBL5033381

Cc1cc(N2CCCC2CO)c2ccc(OCc3ccccc3C#N)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ACVR1 Q04771 1/20 0.39
AR P10275 1/20 0.39
ALOX5AP P20292 1/20 0.39
FFAR1 O14842 1/20 0.38
ADAM17 P78536 4/20 0.38
BCL6 P41182 1/20 0.38
MET P08581 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
SPHK2 Q9NRA0 3/20 0.38
SPHK1 Q9NYA1 2/20 0.37
MMP1 P03956 2/20 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
SCHEMBL6374830 1.00 MAOB (0.42) MAOBHTR2AHTR2CSLC6A4CD274
SCHEMBL5033251 0.85 SPHK2 (0.49) ACVR1SPHK2SPHK1
SCHEMBL5033262 0.85 SPHK2 (0.49) ACVR1SPHK2SPHK1
SCHEMBL5529499 0.85 SPHK2 (0.41) MAOBACVR1ARSPHK2SPHK1
SCHEMBL5529495 0.85 SPHK2 (0.41) MAOBACVR1ARSPHK2SPHK1
SCHEMBL5035995 0.84 SPHK2 (0.53) MAOBSPHK2SPHK1
SCHEMBL5040525 0.84 SPHK2 (0.53) MAOBSPHK2SPHK1
SCHEMBL5035994 0.84 SPHK2 (0.53) MAOBSPHK2SPHK1
SCHEMBL5033427 0.84 FFAR1 (0.41) ACVR1FFAR1ADAM17SPHK2SPHK1
SCHEMBL5036317 0.84 SPHK2 (0.39) ACVR1FFAR1ADAM17SPHK2SPHK1

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 1279/4885HTR2A 110/4885HTR2C 115/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAOB 1279/4885HTR2A 110/4885HTR2C 115/4885

“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.