SCHEMBL3408319

SCHEMBL3408319

CC(C)N1C2CCC1CC(NC(=O)Nc1ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37
HPGDS O60760 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
EPHX2 P34913 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL3409266 1.00 NPY1R (0.41) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL3413487 0.97 NPY1R (0.41) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL3413484 0.97 NPY1R (0.41) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL3413058 0.94 NPY1R (0.38) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL4109481 0.94 NPY1R (0.38) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL3411547 0.93 NPC1 (0.41) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL3411542 0.93 NPC1 (0.41) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL3412408 0.90 USP2 (0.45) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL3412412 0.90 USP2 (0.45) NPY1RNPC1ALDH1A1JAK2JAK1
SCHEMBL3431879 0.89 NPC1 (0.41) NPY1RNPC1ALDH1A1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A NPY1R 93/4885NPC1 2931/4885ALDH1A1 1203/4885

“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.