SCHEMBL4105487

SCHEMBL4105487

COc1ccc2c(c1)C(Nc1ccc3c(NCCCS(C)(=O)=O)cccc3n1)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MTNR1A P48039 8/20 0.39
MTNR1B P49286 8/20 0.39
NQO2 P16083 7/20 0.39
KDM1A O60341 3/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
HTR2C P28335 1/20 0.35
PIK3CG P48736 1/20 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
SCHEMBL4109503 0.96 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL4115966 0.86 KDM1A (0.39) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL4110521 0.86 KDM1A (0.39) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL2245728 0.85 KDM1A (0.40) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL4109930 0.85 KDM1A (0.39) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL1616408 0.84 ACP1 (0.40) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL1615479 0.81 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL1615738 0.81 ACP1 (0.39) KDM1AMAOAMAOB
SCHEMBL1615578 0.79 CYP1A2 (0.45) KDM1AMAOAMAOBTRPV1
SCHEMBL1613862 0.79 PDE4A (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 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-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES HTR5A, HTR2C, HTR2B PDE4A 352/4885PDE4B 228/4885PDE4C 381/4885

“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.