SCHEMBL3402236

SCHEMBL3402236

CC(C)NC(=O)Nc1ccc2nc(Nc3cccc4c3OC(C)C4)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.39
MAPT P10636 6/20 0.37
PARP1 P09874 3/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ROCK2 O75116 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
NR1I3 Q14994 1/20 0.33

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
SCHEMBL4110377 0.78 MAPT (0.39) MAPTBRD4MEN1KMT2A
SCHEMBL3410563 0.71 NPY1R (0.48) NPY1RNPC1KMT2A
SCHEMBL3413644 0.71 NPY1R (0.46) NPY1R
SCHEMBL3414719 0.70 NPY1R (0.45) NPY1R
SCHEMBL3414720 0.69 NPY1R (0.45) NPY1RMAPTMEN1NPC1POLB
SCHEMBL3408465 0.69 NPY1R (0.44) NPY1RNPC1
SCHEMBL3406614 0.69 NPC1 (0.44) NPY1RMAPTMEN1NPC1KMT2A
SCHEMBL3413266 0.67 TRPV1 (0.45) NPY1RNPC1POLBKMT2A
SCHEMBL19020205 0.67 RAB9A (0.65) MAPTMEN1NPC1POLBKMT2A
SCHEMBL3402556 0.66 POLB (0.38) MAPTMEN1NPC1POLBKMT2A

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
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 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 (1 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B NPY1R 89/4885MAPT 903/4885PARP1 1017/4885

“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.