SCHEMBL3401779

SCHEMBL3401779

COCC(=O)N1CCC(NC(=O)Nc2ccc3nc(NCc4ccccc4OC)ccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.51
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3402689 0.92 EPHX2 (0.51) EPHX2SMN1; SMN2NPSR1HIF1A
SCHEMBL3404931 0.90 EPHX2 (0.49) EPHX2SMN1; SMN2NPSR1
SCHEMBL3406201 0.90 CHEK1 (0.49) EPHX2SMN1; SMN2NPSR1HIF1A
SCHEMBL3402633 0.88 EPHX2 (0.44) EPHX2SMN1; SMN2NPSR1HIF1A
SCHEMBL3407582 0.88 SMN1; SMN2 (0.50) EPHX2SMN1; SMN2NPSR1HIF1A
SCHEMBL3407930 0.87 ALDH1A1 (0.49) EPHX2SMN1; SMN2NPSR1HIF1A
SCHEMBL3408293 0.86 SMN1; SMN2 (0.50) EPHX2SMN1; SMN2NPSR1HIF1A
SCHEMBL3403225 0.85 SMN1; SMN2 (0.49) EPHX2SMN1; SMN2NPSR1HIF1A
SCHEMBL3267206 0.78 HIF1A (0.57) SMN1; SMN2HIF1ACYP2D6CYP2C19
SCHEMBL3402970 0.77 HIF1A (0.51) HIF1ACYP2D6CYP2C19

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
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP claimed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO claimed
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 EPHX2 3686/4885SMN1; SMN2 1126/4885NPSR1 46/4885

“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.