SCHEMBL4065883

SCHEMBL4065883

O=C(NCc1cccc(CN(C2CCCNC2)C2CCOc3cccnc32)c1)c1c(Cl)cncc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.36
ALDH2 P05091 1/20 0.35
RPLP1 P05386 4/20 0.34
RPLP0 P05388 4/20 0.34
RPS17 P08708 4/20 0.34
RPSA P08865 4/20 0.34
RPS2 P15880 4/20 0.34
RPL35A P18077 4/20 0.34
RPL7 P18124 4/20 0.34
RPL17 P18621 4/20 0.34
RPS4Y1 P22090 4/20 0.34
RPS3 P23396 4/20 0.34
RPS12 P25398 4/20 0.34
RPL13 P26373 4/20 0.34
RPL10 P27635 4/20 0.34
RPL12 P30050 4/20 0.34
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 4/20 0.34
RPL22 P35268 4/20 0.34
RPL4 P36578 4/20 0.34
RPS19 P39019 4/20 0.34

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
SCHEMBL4065384 0.96 CCR5 (0.36) CCR5ALDH2POLBROCK2
SCHEMBL4068124 0.94 RPLP1 (0.35) CCR5ALDH2RPLP1RPLP0RPS17
SCHEMBL4066927 0.91 CCR5 (0.37) CCR5ALDH2POLBROCK2
SCHEMBL4066234 0.89 P2RX7 (0.35) CCR5ALDH2POLB
SCHEMBL4065035 0.85 P2RX7 (0.36) CCR5ALDH2POLB
SCHEMBL4072213 0.83 CXCR4 (0.39) CCR5
SCHEMBL4065457 0.81 ALDH2 (0.36) CCR5ALDH2POLBROCK2
SCHEMBL4072587 0.81 ALDH2 (0.36) CCR5ALDH2POLBROCK2
SCHEMBL4062979 0.79 CXCR4 (0.40) CCR5
SCHEMBL4064463 0.79 CCR5 (0.37) CCR5ALDH2ROCK2

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 CCR5 5/4885ALDH2 2705/4885RPLP1 2855/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 CCR5 5/4885ALDH2 2705/4885RPLP1 2855/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 CCR5 5/4885ALDH2 2705/4885RPLP1 2855/4885

“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.