SCHEMBL3432977

SCHEMBL3432977

CN1CCC(OC(=O)Nc2ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 2/20 0.40
HPGDS O60760 1/20 0.39
PFKFB3 Q16875 2/20 0.39
PDE10A Q9Y233 1/20 0.37
NR1I3 Q14994 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CCR3 P51677 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL3415257 0.87 HPGDS (0.46) HPGDSPFKFB3KMT2AMEN1MAPT
SCHEMBL7604739 0.85 CTSS (0.49) HPGDSMAPTJAK2JAK1TYK2
SCHEMBL3408455 0.85 EPHX2 (0.46) HPGDSKMT2AMEN1MAPTJAK2
SCHEMBL3431583 0.84 NR1I3 (0.42) HPGDSNR1I3KMT2AMEN1MAPT
SCHEMBL4103800 0.83 JAK2 (0.39) HPGDSPFKFB3PDE10AKMT2AMEN1
SCHEMBL4109902 0.83 MAPT (0.44) HPGDSPFKFB3KMT2AMEN1MAPT
SCHEMBL4101994 0.82 MGLL (0.44) ALDH1A1
SCHEMBL3402876 0.82 HPGDS (0.50) HPGDSPFKFB3KMT2AMEN1MAPT
SCHEMBL3411790 0.81 NPC1 (0.42) HPGDSPFKFB3KMT2AMEN1MAPT
SCHEMBL3414984 0.81 AURKA (0.41) HPGDSPFKFB3KMT2AMEN1MAPT

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 6 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
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 CHRM3 110/4885BCHE 1676/4885ACHE 537/4885

“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.