SCHEMBL6655460

SCHEMBL6655460

CCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4cnccn4)cc3)C(=O)CC2CC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 1/20 0.42
PDE4D Q08499 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
CFTR P13569 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL6654216 0.97 CCR5 (0.48) CCR5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6661044 0.96 CCR5 (0.48) CCR5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6661791 0.95 CCR5 (0.48) CCR5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6657461 0.92 CCR5 (0.47) CCR5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6658054 0.92 CCR5 (0.48) CCR5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6654578 0.92 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2PDE4DPDE4A
SCHEMBL6655800 0.91 CCR5 (0.44) CCR5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6655096 0.91 NPC1 (0.45) CCR5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6661679 0.90 NPC1 (0.47) CCR5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6676679 0.90 PDE4B (0.46) NPC1RAB9ASMN1; SMN2POLBMAPT

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.