SCHEMBL2475432

SCHEMBL2475432

COC(=O)c1ccc(CN2[C@@H](c3ncccc3C)CCC[C@H]2c2ncccc2C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 2/20 0.38
PDE4B Q07343 2/20 0.38
ROCK2 O75116 1/20 0.38
EPHX2 P34913 1/20 0.38
DRD4 P21917 1/20 0.37
SMO Q99835 1/20 0.37
CXCR6 O00574 2/20 0.37
LMNA P02545 1/20 0.37
CXCR4 P61073 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2472903 0.89 ALOX15 (0.39) ALOX15HTTCXCR4
SCHEMBL2470444 0.89 ALOX15 (0.38) ALOX15HTTCXCR4
SCHEMBL2472347 0.89 KDM4E (0.43) HDAC6TDP1ALOX15HTTTP53
SCHEMBL2474699 0.89 ALOX15 (0.38) ALOX15HTTCXCR4
SCHEMBL2474584 0.88 ALOX15 (0.38) TDP1ALOX15HTTTP53CXCR4
SCHEMBL4239716 0.86 HDAC6 (0.37) HDAC6TDP1ROCK2SMOCXCR6
SCHEMBL2478212 0.86 DPP4 (0.37) ALOX15HTTPDE4BCXCR4
SCHEMBL2474553 0.85 HPGD (0.43)
SCHEMBL2474798 0.84 KDM4E (0.43) HTTLMNA
SCHEMBL2474569 0.83 TLR7 (0.40) CXCR4TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 EP disclosed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ANORMED CORPORATION (CA) 2005-07-14 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-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 HDAC6 885/4885TDP1 2021/4885ALOX15 282/4885

“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.