Sugi Predict

Sugi Predict / Compounds / SCHEMBL2478770

SCHEMBL2478770

SCHEMBL2478770

Cc1cnc([C@H]2CCC[C@@H](c3ncc(C)cc3C)N2Cc2ccc(C(=O)O)cc2CO)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ OPRK1 P41145 3/20 0.34
▸ PRKG1 Q13976 4/20 0.33
▸ SSTR5 P35346 3/20 0.33
▸ CFB P00751 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8305944 0.91 OPRK1 (0.34) OPRK1CFB
SCHEMBL2476738 0.89 SMN1; SMN2 (0.36) OPRK1PRKG1SSTR5ALDH1A1GAA
SCHEMBL2474585 0.86 CXCR4 (0.38) PRKG1
SCHEMBL2473301 0.85 AXL (0.33) SSTR5CFB
SCHEMBL2475607 0.82 KLKB1 (0.31) —
SCHEMBL2470023 0.82 KLKB1 (0.31) —
SCHEMBL2476471 0.82 AR (0.37) ALDH1A1GAA
SCHEMBL2470276 0.82 AR (0.37) ALDH1A1GAA
SCHEMBL8306175 0.77 MEN1 (0.46) KDM4AALDH1A1GAA
SCHEMBL2473409 0.77 OPRK1 (0.38) OPRK1CFB

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 KDM4A 1137/4885KDM5A 652/4885KDM2B 720/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 KDM4A 4243/4885KDM5A 4528/4885KDM2B 4627/4885

“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.