SCHEMBL6654970

SCHEMBL6654970

CCC1OC(=O)N(Cc2ccc(NC(=O)c3cnccn3)cc2)N=C1c1ccc(OCF)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
GRM4 Q14833 1/20 0.40
PDE4D Q08499 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL6662155 0.98 CCR5 (0.45) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6658381 0.95 NPC1 (0.47) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6656202 0.95 NPC1 (0.46) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6660204 0.92 NPC1 (0.42) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6842232 0.92 NPC1 (0.45) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6659691 0.92 NPC1 (0.46) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6658940 0.92 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2GRM4PDE4D
SCHEMBL6842524 0.91 RAB9A (0.46) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6656570 0.91 NPC1 (0.45) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6659020 0.91 NPC1 (0.42) CCR5NPC1RAB9ASMN1; SMN2ALDH1A1

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 CCR5 175/4885NPC1 3307/4885RAB9A 2053/4885

“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.