SCHEMBL2474583

SCHEMBL2474583

Cc1cccnc1C1CCCC(c2ncccc2C)N1Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.44
CHRM1 P11229 1/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP19A1 P11511 5/20 0.40
DRD4 P21917 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.36
AR P10275 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 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
SCHEMBL8306821 0.90 CXCR4 (0.45) CXCR4MEN1KMT2A
SCHEMBL2470094 0.87 CXCR4 (0.42) CXCR4CYP11B1CYP11B2CYP19A1DRD4
SCHEMBL8301581 0.84 CXCR4 (0.41) CXCR4MEN1KMT2A
SCHEMBL2475017 0.84 CXCR4 (0.41) CXCR4MEN1KMT2A
SCHEMBL11983265 0.84 CXCR4 (0.41) CXCR4CYP19A1KDM4EMEN1KMT2A
SCHEMBL2472770 0.84 CXCR4 (0.43) CXCR4MEN1KMT2A
SCHEMBL2474601 0.82 PDE2A (0.42) CXCR4PDE2A
SCHEMBL2472931 0.82 CXCR4 (0.40) CXCR4CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL2473381 0.82 CXCR4 (0.40) CXCR4CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL2476263 0.81 CYP11B1 (0.44) CXCR4CYP11B1

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 CXCR4 2190/4885CHRM1 2733/4885CYP11B1 570/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 CXCR4 1/4885CHRM1 918/4885CYP11B1 1015/4885

“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.