SCHEMBL2474557

SCHEMBL2474557

Cc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1CCCCN

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 16/20 0.43
OPRL1 P41146 2/20 0.38

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
SCHEMBL30586955 1.00 CXCR4 (0.43) CXCR4OPRL1
SCHEMBL25634128 1.00 CXCR4 (0.43) CXCR4OPRL1
SCHEMBL2478196 1.00 CXCR4 (0.43) CXCR4OPRL1
SCHEMBL30586986 0.96 CXCR4 (0.43) CXCR4OPRL1
SCHEMBL2472867 0.96 CXCR4 (0.43) CXCR4OPRL1
SCHEMBL25634058 0.92 CXCR4 (0.39) CXCR4OPRL1
SCHEMBL25634473 0.92 CXCR4 (0.39) CXCR4OPRL1
SCHEMBL2475341 0.91 CXCR4 (0.44) CXCR4OPRL1
SCHEMBL8301977 0.91 CXCR4 (0.44) CXCR4OPRL1
SCHEMBL2472192 0.87 CXCR4 (0.39) CXCR4OPRL1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 EP claimed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP claimed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US claimed
WO-2023240258-A1 COMBINATION THERAPIES FOR TREATING HYPERPROLIFERATIVE DISORDERS X4 PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023183652-A1 DUAL CXCR4-BTK INHIBITORS X4 PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
WO-2023183652-A1 DUAL CXCR4-BTK INHIBITORS X4 PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
WO-2023172640-A1 TREATMENTS FOR SINGLE-MUTANT WALDENSTRÖM'S MACROGLOBULINEMIA X4 PHARMACEUTICALS, INC. (US) 2023-09-14 WO disclosed
WO-2023107689-A1 METHODS FOR TREATING PRIMARY IMMUNODEFICIENCY X4 PHARMACEUTICALS, INC. (US) 2023-06-15 WO disclosed
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
EP-1809613-B1 METHOD OF MAKING A 2,6-DIARYL PIPERIDINE DERIVATIVE GENZYME CORP (US) 2013-09-04 EP disclosed
EP-1809613-B1 METHOD OF MAKING A 2,6-DIARYL PIPERIDINE DERIVATIVE GENZYME CORP (US) 2013-09-04 EP disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US 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-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 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
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 WO 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 2190/4885OPRL1 1945/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 CXCR4 1/4885OPRL1 101/4885

“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.