SCHEMBL1942883

SCHEMBL1942883

O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 4/20 0.65
▸ KCNH2 Q12809 3/20 0.65
▸ FAAH O00519 4/20 0.64
▸ TSHR P16473 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ MAPT P10636 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ CA12 O43570 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ PKM P14618 1/20 0.54

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
SCHEMBL1943975 0.86 CCR2 (0.79) CCR2KCNH2FAAHTSHRMAPT
SCHEMBL1943453 0.83 CCR2 (0.68) CCR2KCNH2FAAHTSHRMAPT
SCHEMBL1943724 0.82 CCR2 (0.89) CCR2KCNH2FAAHTSHRMAPT
SCHEMBL1943931 0.82 CCR2 (0.75) CCR2KCNH2KMT2AMAPTKDM4E
SCHEMBL1943534 0.82 CCR2 (0.75) CCR2KCNH2KMT2AMAPTKDM4E
SCHEMBL8223191 0.81 FAAH (0.82) FAAHTSHRMAPTSMN1; SMN2KDM4E
SCHEMBL1945257 0.80 CCR2 (0.66) CCR2KCNH2MEN1KMT2AMAPT
SCHEMBL10253833 0.80 MEN1 (0.71) CCR2KCNH2MEN1KMT2AMAPT
SCHEMBL1941893 0.79 CCR2 (1.00) CCR2KCNH2FAAH
SCHEMBL12537661 0.79 CCR2 (0.54) CCR2KCNH2FAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2034/4885FAAH 1883/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 CCR2 1/4885KCNH2 2034/4885FAAH 1883/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 CCR2 1/4885KCNH2 2490/4885FAAH 1804/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 CCR2 1/4885KCNH2 2418/4885FAAH 1735/4885

“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.

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