SCHEMBL2470295

SCHEMBL2470295

COC(=O)c1ncccc1CN1[C@@H](c2ncccc2C)CCC[C@H]1c1ncccc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
CXCR4 P61073 5/20 0.37
PDE10A Q9Y233 1/20 0.37
DRD4 P21917 1/20 0.36
MPO P05164 1/20 0.35
OPRL1 P41146 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GRIN2B Q13224 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GRM5 P41594 1/20 0.35
CSF1R P07333 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
SCHEMBL2470095 0.88 KDM4E (0.42) L3MBTL1CXCR4DRD4KDM4E
SCHEMBL8301697 0.88 KDM4E (0.42) L3MBTL1CXCR4DRD4KDM4E
SCHEMBL2476818 0.87 CXCR4 (0.38) CXCR4PDE10ADRD4OPRL1TRPV1
SCHEMBL2474705 0.83 KDM4E (0.35) CXCR4KDM4E
SCHEMBL2474798 0.83 KDM4E (0.43) L3MBTL1KDM4E
SCHEMBL2474896 0.83 ALOX15 (0.39) CXCR4KDM4E
SCHEMBL2472903 0.83 ALOX15 (0.39) CXCR4KDM4E
SCHEMBL2472806 0.82 P2RX7 (0.39) L3MBTL1CXCR4KDM4E
SCHEMBL2475396 0.82 P2RX7 (0.39) CXCR4KDM4E
SCHEMBL2470444 0.82 ALOX15 (0.38) CXCR4KDM4E

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 7 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-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US 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
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 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 (2 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 PARP1 293/4885L3MBTL1 4465/4885CXCR4 2190/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 PARP1 1982/4885L3MBTL1 2383/4885CXCR4 1/4885

“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.