SCHEMBL5053572

SCHEMBL5053572

O=C(NCc1ccc(CN(CCc2cnc[nH]2)C2CCOc3cccnc32)cc1)c1c(Cl)cncc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.35
SMO Q99835 1/20 0.34
P2RX7 Q99572 1/20 0.34
FNTA P49354 1/20 0.34
PGGT1B P53609 1/20 0.34
CXCR4 P61073 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SSTR2 P30874 2/20 0.33
SSTR4 P31391 2/20 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
SCHEMBL4064110 0.94 P2RX7 (0.36) SMOP2RX7FNTAPGGT1BCXCR4
SCHEMBL4070740 0.94 GBA1 (0.35) GBA1SMOFNTAPGGT1BCXCR4
SCHEMBL4061008 0.92 MCHR1 (0.35) GBA1SMOP2RX7FNTAPGGT1B
SCHEMBL6888272 0.89 P2RX7 (0.34) SMOP2RX7CXCR4
SCHEMBL4065457 0.88 ALDH2 (0.36) SMOP2RX7FNTAPGGT1B
SCHEMBL4063770 0.87 P2RX7 (0.36) SMOP2RX7CXCR4
SCHEMBL4063635 0.86 MCHR1 (0.34) GBA1SMOFNTAPGGT1BCXCR4
SCHEMBL4070195 0.86 CXCR4 (0.43) CXCR4
SCHEMBL4064496 0.84 P2RX7 (0.33) P2RX7CXCR4
SCHEMBL4062786 0.84 CXCR4 (0.43) CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US claimed
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 US disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 GBA1 3925/4885SMO 4045/4885P2RX7 313/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 GBA1 3925/4885SMO 4045/4885P2RX7 313/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 GBA1 3925/4885SMO 4045/4885P2RX7 313/4885

“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.