SCHEMBL2511795

SCHEMBL2511795

CC(C)(C)OC(=O)Nc1ncc(C2(O)CCC3(CC2)OCCO3)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 3/20 0.39
FPR2 P25090 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CCNE2 O96020 3/20 0.38
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PARG Q86W56 1/20 0.36
LCK P06239 4/20 0.34
TSHR P16473 1/20 0.33
FSHR P23945 1/20 0.33
PSMB8 P28062 1/20 0.33
OGA O60502 1/20 0.33

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
SCHEMBL629981 0.89 SMN1; SMN2 (0.44) FPR3FPR2SMN1; SMN2CCNE1CDK2
SCHEMBL2486289 0.83 SMN1; SMN2 (0.40) FPR3FPR2SMN1; SMN2CCNE2CCNE1
SCHEMBL744178 0.82 SMN1; SMN2 (0.43) FPR3FPR2SMN1; SMN2CCNE2CCNE1
SCHEMBL14980548 0.73
SCHEMBL612544 0.73 PSMB8 (0.44) CA1PSMB8
SCHEMBL2509788 0.71 PDE10A (0.32)
SCHEMBL13266901 0.71 CA1 (0.47) FPR3FPR2SMN1; SMN2CCNE2CCNE1
SCHEMBL2506804 0.71 HTT (0.31) SMN1; SMN2
SCHEMBL628727 0.71 F2 (0.35)
SCHEMBL23203971 0.70 FPR3 (0.37) FPR3FPR2CA1CA2LCK

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 10 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
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 FPR3 168/4885FPR2 75/4885SMN1; SMN2 4230/4885

“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.