SCHEMBL3413459

SCHEMBL3413459

COC(=O)N1CCC(NC(=O)Nc2ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
NPC1 O15118 1/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGDS O60760 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
CXCR3 P49682 4/20 0.40
PDE10A Q9Y233 2/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3410089 0.92 CA12 (0.49) EPHX2NPC1ALDH1A1MAPT
SCHEMBL3408455 0.91 EPHX2 (0.46) EPHX2NPC1MEN1ALDH1A1MAPT
SCHEMBL3412407 0.89 JAK2 (0.47) EPHX2NPC1MEN1ALDH1A1MAPT
SCHEMBL3415721 0.88 EPHX2 (0.50) EPHX2JAK2JAK1TYK2JAK3
SCHEMBL3410853 0.88 ALDH1A1 (0.51) EPHX2NPC1MEN1ALDH1A1MAPT
SCHEMBL3415079 0.87 EPHX2 (0.42) EPHX2NPC1MEN1ALDH1A1MAPT
SCHEMBL3408559 0.87 CXCR3 (0.47) EPHX2NPC1MEN1ALDH1A1MAPT
SCHEMBL3413540 0.86 RAB9A (0.50) EPHX2NPC1MEN1ALDH1A1KMT2A
SCHEMBL3415823 0.86 EPHX2 (0.51) EPHX2CXCR3
SCHEMBL3414458 0.85 CXCR3 (0.49) EPHX2NPC1MEN1ALDH1A1KMT2A

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 EPHX2 2067/4885NPC1 2931/4885MEN1 1524/4885

“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.