SCHEMBL1946541

SCHEMBL1946541

CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.79
KCNH2 Q12809 7/20 0.79
CCR5 P51681 1/20 0.79
PANK3 Q9H999 1/20 0.46
ALOX5 P09917 1/20 0.46
OGA O60502 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1943442 0.89 CCR2 (0.76) CCR2KCNH2CCR5
SCHEMBL1944322 0.89 CCR2 (0.73) CCR2KCNH2CCR5PANK3KDM4E
SCHEMBL1942682 0.89 CCR2 (1.00) CCR2KCNH2CCR5PANK3SMN1; SMN2
SCHEMBL2069274 0.88 CCR2 (0.84) CCR2KCNH2CCR5
SCHEMBL1943533 0.88 CCR2 (0.87) CCR2KCNH2CCR5MEN1KMT2A
SCHEMBL1942775 0.88 CCR2 (0.77) CCR2KCNH2CCR5PANK3KDM4E
SCHEMBL1942245 0.87 CCR2 (0.70) CCR2KCNH2CCR5PANK3
SCHEMBL1945392 0.87 CCR2 (0.85) CCR2KCNH2CCR5
SCHEMBL1946493 0.86 CCR2 (0.75) CCR2KCNH2CCR5
SCHEMBL1945314 0.86 CCR2 (0.69) CCR2KCNH2CCR5PANK3LMNA

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.