SCHEMBL4109481

SCHEMBL4109481

CC(C)N1[C@@H]2COC[C@H]1C[C@H](NC(=O)Nc1ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c1)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.35
HPGDS O60760 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
EPHX2 P34913 1/20 0.35
TRPV1 Q8NER1 2/20 0.35

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
SCHEMBL3413058 1.00 NPY1R (0.38) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL3408319 0.94 NPY1R (0.41) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL3409266 0.94 NPY1R (0.41) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL3413487 0.93 NPY1R (0.41) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL3413484 0.93 NPY1R (0.41) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL3412273 0.93 NPC1 (0.39) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL4109958 0.93 NPC1 (0.39) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL3411542 0.89 NPC1 (0.41) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL3411547 0.89 NPC1 (0.41) NPY1RNPC1JAK2JAK1TYK2
SCHEMBL3431881 0.87 NPC1 (0.41) NPY1RNPC1JAK2JAK1TYK2

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US 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
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 2931/4885JAK2 1035/4885

“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.