SCHEMBL2474584

SCHEMBL2474584

COCc1cc(C(=O)OC)ccc1CN1C(c2ncccc2C)CCCC1c1ncccc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
HTT P42858 2/20 0.38
CXCR4 P61073 4/20 0.38
KDM4E B2RXH2 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 2/20 0.34
USP2 O75604 1/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2470444 0.91 ALOX15 (0.38) ALOX15HTTCXCR4KDM4EALDH1A1
SCHEMBL2474699 0.91 ALOX15 (0.38) ALOX15HTTCXCR4KDM4EALDH1A1
SCHEMBL2470275 0.91 HDAC6 (0.43) CXCR4CNR1CNR2TDP1
SCHEMBL8305698 0.91 HDAC6 (0.43) CXCR4CNR1CNR2TDP1
SCHEMBL2474896 0.89 ALOX15 (0.39) ALOX15HTTCXCR4KDM4EALDH1A1
SCHEMBL2472903 0.89 ALOX15 (0.39) ALOX15HTTCXCR4KDM4EALDH1A1
SCHEMBL2475432 0.88 HDAC6 (0.44) ALOX15HTTCXCR4TP53TDP1
SCHEMBL2472347 0.88 KDM4E (0.43) ALOX15HTTCXCR4KDM4EALDH1A1
SCHEMBL2478212 0.85 DPP4 (0.37) ALOX15HTTCXCR4KDM4EALDH1A1
SCHEMBL2474553 0.84 HPGD (0.43) KDM4EALDH1A1GAAMAPTPOLB

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 ALOX15 282/4885HTT 3029/4885CXCR4 2190/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 ALOX15 603/4885HTT 3419/4885CXCR4 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.