SCHEMBL6660367

SCHEMBL6660367

CCC1CC(=O)N(C(NC(=O)c2ccccn2)c2ccccc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 13/20 0.41
PDE4B Q07343 13/20 0.41
PDE4C Q08493 13/20 0.41
PDE4D Q08499 13/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
GRM4 Q14833 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 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
SCHEMBL6658114 0.92 CYP1A2 (0.42) KDM4ESMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL6656464 0.88 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL6661192 0.86 AAK1 (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6654584 0.85 KMT2A (0.39) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6659048 0.85 MAPT (0.38) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6658594 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6842734 0.85 PDE4B (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL6655429 0.84 TLR7 (0.42) TLR7KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6657876 0.84 TLR7 (0.44) TLR7KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6841820 0.84 PDE4B (0.37) PDE4APDE4BPDE4CPDE4D

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-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B TLR7 1478/4885KDM4E 1050/4885NPC1 3307/4885

“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.