SCHEMBL5106359

SCHEMBL5106359

c1cnc2c(c1)CCCC2N[C@]1(Cc2nc3ccccc3[nH]2)CC[C@@H](NCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 16/20 0.44
SLC40A1 Q9NP59 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL5059379 0.87 CXCR4 (0.54) CXCR4SLC40A1OPRM1CHRM2CYP2D6
SCHEMBL5107104 0.85 CXCR4 (0.45) CXCR4SLC40A1OPRM1CHRM2CYP2D6
SCHEMBL18628750 0.83 CXCR4 (0.48) CXCR4SLC40A1OPRM1CHRM2CYP2D6
SCHEMBL5059231 0.82 CXCR4 (0.54) CXCR4SLC40A1OPRM1CHRM2CYP2D6
SCHEMBL5059238 0.82 CXCR4 (0.54) CXCR4SLC40A1OPRM1CHRM2CYP2D6
SCHEMBL5052707 0.82 CXCR4 (0.54) CXCR4SLC40A1OPRM1CHRM2CYP2D6
SCHEMBL5107157 0.82 CXCR4 (0.54) CXCR4SLC40A1OPRM1CHRM2CYP2D6
SCHEMBL14131199 0.78 CXCR4 (0.55) CXCR4OPRM1CHRM2CYP2D6DRD2
SCHEMBL18014929 0.78 CXCR4 (0.55) CXCR4OPRM1CHRM2CYP2D6DRD2
SCHEMBL4760828 0.76 SLC40A1 (0.59) CXCR4SLC40A1OPRM1CHRM2CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP claimed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 US disclosed
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2016-08-11 US disclosed
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy ANORMED, INC. (CA) 2015-02-05 US disclosed
US-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORPORATION 2008-07-10 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 (5 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-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885SLC40A1 2231/4885LMNA 4459/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885SLC40A1 2231/4885LMNA 4459/4885
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885SLC40A1 2231/4885LMNA 4459/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885SLC40A1 2231/4885LMNA 4459/4885
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885SLC40A1 2231/4885LMNA 4459/4885

“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.