SCHEMBL2476471

SCHEMBL2476471

Cc1cnc(C2CCCC(c3ncc(C)cc3C)N2Cc2ccc(C#N)cc2CO)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.37
CYP11B2 P19099 5/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP14 P54578 7/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP11B1 P15538 4/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL2470276 1.00 AR (0.37) ARCYP11B2KDM4EALDH1A1CYP1A2
SCHEMBL2473381 0.86 CXCR4 (0.40) ARCYP11B2KDM4EALDH1A1CYP1A2
SCHEMBL2472931 0.86 CXCR4 (0.40) ARCYP11B2KDM4EALDH1A1CYP1A2
SCHEMBL2473301 0.85 AXL (0.33)
SCHEMBL2473538 0.83 CYP11B2 (0.39) CYP11B2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2475607 0.82 KLKB1 (0.31)
SCHEMBL2470023 0.82 KLKB1 (0.31)
SCHEMBL2478770 0.82 KDM4A (0.34) ALDH1A1GAA
SCHEMBL8305944 0.81 OPRK1 (0.34)
SCHEMBL2476738 0.79 SMN1; SMN2 (0.36) KDM4EALDH1A1CYP3A4GAACYP2C9

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 AR 2552/4885CYP11B2 297/4885KDM4E 1536/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 AR 312/4885CYP11B2 1012/4885KDM4E 3731/4885

“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.