SCHEMBL2484983

SCHEMBL2484983

COc1ncc(C2(O)CCC(=O)CC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE4A P27815 5/20 0.32
PDE4B Q07343 5/20 0.32
PDE4C Q08493 5/20 0.32
PDE4D Q08499 5/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL2511087 0.78 PIK3R1 (0.39) MTORPIK3R1PIK3CACCR2KCNH2
SCHEMBL2481302 0.77 OPRM1 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL628750 0.74 NNMT (0.41) CCR2KCNH2BRD4LMNA
SCHEMBL2484041 0.71 IDO1 (0.36) CCR2KCNH2LMNA
SCHEMBL11798311 0.70 CCR2 (0.43) CCR2PDE4APDE4BPDE4CPDE4D
SCHEMBL21805122 0.69 HSD11B1 (0.36) MTORPIK3R1PIK3CACCR2KCNH2
SCHEMBL744038 0.69 KCNA3 (0.36)
SCHEMBL2484966 0.69 PLAU (0.34)
SCHEMBL21805983 0.69 CCR2 (0.31) MTORPIK3R1PIK3CACCR2KCNH2
SCHEMBL21805907 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
EP-2376475-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 Janssen Pharmaceutica N.V. (BE) 2011-10-19 EP disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 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 (1 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-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 CCR2, CCR1, CCRL2 MTOR 3852/4885PIK3R1 2444/4885PIK3CA 3145/4885

“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.