SCHEMBL1944401

SCHEMBL1944401

C=CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.77
KCNH2 Q12809 17/20 0.77
CCR5 P51681 1/20 0.66
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL1945015 0.87 CCR2 (1.00) CCR2KCNH2CCR5MEN1NPC1
SCHEMBL13281212 0.87 CCR2 (1.00) CCR2KCNH2CCR5MEN1NPC1
SCHEMBL1943450 0.86 CCR2 (0.79) CCR2KCNH2CCR5MEN1NPC1
SCHEMBL1944912 0.85 CCR2 (0.85) CCR2KCNH2CCR5MEN1NPC1
SCHEMBL1944261 0.85 CCR2 (0.79) CCR2KCNH2CCR5CYP3A4CYP2D6
SCHEMBL1944004 0.85 CCR2 (0.77) CCR2KCNH2CCR5MEN1NPC1
SCHEMBL1779007 0.83 CCR2 (0.53) CCR2KCNH2CCR5MEN1RAB9A
SCHEMBL1943084 0.83 CCR2 (0.75) CCR2KCNH2CCR5MEN1NPC1
SCHEMBL1942669 0.83 CCR2 (0.75) CCR2KCNH2CCR5MEN1NPC1
SCHEMBL1943456 0.82 CCR2 (1.00) CCR2KCNH2CCR5MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US claimed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US claimed
US-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 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 (4 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-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 CCR2 1/4885KCNH2 2034/4885CCR5 8/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 CCR2 1/4885KCNH2 2034/4885CCR5 8/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 CCR2 1/4885KCNH2 2490/4885CCR5 9/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 CCR2 1/4885KCNH2 2418/4885CCR5 8/4885

“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.