SCHEMBL1613862

SCHEMBL1613862

COc1ccc2c(c1)C(Nc1ccc3c(NS(=O)(=O)c4cc(F)c(F)c(F)c4)cccc3n1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM1A O60341 3/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
FKBP1A P62942 1/20 0.37
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
PIK3CG P48736 1/20 0.36
KCNA5 P22460 1/20 0.35
GLO1 Q04760 2/20 0.35
SLC40A1 Q9NP59 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34
SQSTM1 Q13501 1/20 0.34
MAP2K4 P45985 1/20 0.34

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
SCHEMBL1616505 0.92 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL1616265 0.87 SCN1A (0.41) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL2919481 0.87 SCN1A (0.41) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL1615349 0.85 MAP2K4 (0.38) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL1615479 0.80 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL2926162 0.80 SCN1A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1615546 0.80 SCN1A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4109503 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL1615576 0.79 CA1 (0.38) PDE4APDE4BPDE4CPDE4DSLC40A1
SCHEMBL4105487 0.79 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C PDE4A 457/4885PDE4B 282/4885PDE4C 492/4885

“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.