SCHEMBL4064110

SCHEMBL4064110

O=C(NCc1ccc(CN(Cc2cnc[nH]2)C2CCOc3cccnc32)cc1)c1c(Cl)cncc1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
ALDH2 P05091 1/20 0.34
MCHR1 Q99705 2/20 0.33
CXCR4 P61073 1/20 0.33
POLB P06746 1/20 0.33
SMO Q99835 1/20 0.33
FNTA P49354 1/20 0.32
PGGT1B P53609 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
SCHEMBL5053572 0.94 GBA1 (0.35) P2RX7CXCR4SMOFNTAPGGT1B
SCHEMBL4065457 0.93 ALDH2 (0.36) P2RX7ALDH2MCHR1POLBSMO
SCHEMBL4061008 0.92 MCHR1 (0.35) P2RX7ALDH2MCHR1CXCR4SMO
SCHEMBL4063770 0.89 P2RX7 (0.36) P2RX7ALDH2MCHR1CXCR4POLB
SCHEMBL4070740 0.88 GBA1 (0.35) ALDH2CXCR4POLBSMOFNTA
SCHEMBL6888272 0.87 P2RX7 (0.34) P2RX7ALDH2MCHR1CXCR4POLB
SCHEMBL4063635 0.86 MCHR1 (0.34) ALDH2MCHR1CXCR4POLBSMO
SCHEMBL4063946 0.84 CXCR4 (0.48) CXCR4
SCHEMBL4244177 0.84 P2RX7 (0.34) P2RX7ALDH2POLB
SCHEMBL4072587 0.83 ALDH2 (0.36) P2RX7ALDH2MCHR1CXCR4POLB

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 14 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
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
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 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 P2RX7 313/4885ALDH2 2705/4885MCHR1 189/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 P2RX7 313/4885ALDH2 2705/4885MCHR1 189/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 P2RX7 313/4885ALDH2 2705/4885MCHR1 189/4885

“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.