SCHEMBL2475017

SCHEMBL2475017

Cc1cccnc1C1CCCC(c2ncccc2C)N1Cc1ccc(CN)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRL1 P41146 4/20 0.37
ADRB2 P07550 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
OPRM1 P35372 1/20 0.35
AKT1 P31749 1/20 0.34
CA2 P00918 1/20 0.33
NCF1 P14598 1/20 0.33
CHKA P35790 1/20 0.33
PRMT6 Q96LA8 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
SCHEMBL8301581 1.00 CXCR4 (0.41) CXCR4MEN1KMT2AOPRL1ADRB2
SCHEMBL8306821 0.93 CXCR4 (0.45) CXCR4MEN1KMT2AOPRL1OPRM1
SCHEMBL8305930 0.91 PRMT6 (0.42) CXCR4OPRL1CYP2D6CYP3A4NCF1
SCHEMBL2470097 0.91 PRMT6 (0.42) CXCR4OPRL1CYP2D6CYP3A4NCF1
SCHEMBL11983265 0.87 CXCR4 (0.41) CXCR4MEN1KMT2AOPRL1OPRM1
SCHEMBL2472770 0.87 CXCR4 (0.43) CXCR4MEN1KMT2AOPRL1OPRM1
SCHEMBL2474583 0.84 CXCR4 (0.44) CXCR4MEN1KMT2A
SCHEMBL2472736 0.84 CXCR4 (0.41) CXCR4OPRL1CYP2D6CYP3A4OPRM1
SCHEMBL8304668 0.84 CXCR4 (0.41) CXCR4OPRL1CYP2D6CYP3A4OPRM1
SCHEMBL2470469 0.83 CXCR4 (0.38) CXCR4MEN1KMT2AOPRL1CYP2D6

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 9 patents. 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
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 2190/4885MEN1 2676/4885KMT2A 1667/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 CXCR4 1/4885MEN1 4295/4885KMT2A 2901/4885

“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.