SCHEMBL1943797

SCHEMBL1943797

CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.68
KCNH2 Q12809 5/20 0.68
CCR5 P51681 1/20 0.68
CYP2D6 P10635 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HIF1A Q16665 2/20 0.52
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 1/20 0.48
GRIN2B Q13224 2/20 0.48
FAAH O00519 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL1942245 0.88 CCR2 (0.70) CCR2KCNH2CCR5FAAH
SCHEMBL1942775 0.86 CCR2 (0.77) CCR2KCNH2CCR5TSHRALDH1A1
SCHEMBL1944127 0.85 CCR2 (0.72) CCR2KCNH2CCR5CYP1A2ALDH1A1
SCHEMBL1944700 0.84 CCR2 (0.67) CCR2KCNH2CCR5GRIN2BFAAH
SCHEMBL1943561 0.83 CCR2 (0.66) CCR2KCNH2CCR5FAAH
SCHEMBL1942677 0.82 CCR2 (0.65) CCR2KCNH2CCR5
SCHEMBL1942682 0.81 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL1946493 0.81 CCR2 (0.75) CCR2KCNH2CCR5
SCHEMBL1942061 0.81 CCR2 (0.58) CCR2KCNH2CCR5
SCHEMBL1943533 0.80 CCR2 (0.87) CCR2KCNH2CCR5

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.