SCHEMBL2509782

SCHEMBL2509782

Cc1ccc(C2(O)CCC3(CC2)OCCO3)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.35
P2RX7 Q99572 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
IDO1 P14902 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OGA O60502 1/20 0.31
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALOX5AP P20292 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ADRA2A P08913 1/20 0.30

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
SCHEMBL17298793 0.87 OPRM1 (0.39) VNN1P2RX7IDO1OPRM1OPRK1
SCHEMBL23108622 0.82 VNN1 (0.44) VNN1P2RX7PDE10AIDO1OGA
SCHEMBL744112 0.81 PDE10A (0.35) P2RX7PDE10ASLC6A4SLC6A3CCR2
SCHEMBL12209422 0.81 GRIN2B (0.34) VNN1P2RX7
SCHEMBL628833 0.81 NNMT (0.36) P2RX7PDE10AKMT2AALDH1A1CCR2
SCHEMBL30407644 0.81 NNMT (0.36) P2RX7PDE10AKMT2AALDH1A1CCR2
SCHEMBL2513270 0.81 SLC6A4 (0.36) PDE10ASLC6A4SLC6A3OPRM1OPRK1
SCHEMBL14403245 0.79 DRD2 (0.39) SLC6A4SLC6A3OPRM1OPRK1OPRL1
SCHEMBL2512727 0.79 MAPT (0.39) PDE10ASLC6A4SLC6A3ALDH1A1CCR2
SCHEMBL613489 0.78 OPRM1 (0.50) SLC6A4SLC6A3OPRM1OPRK1OPRL1

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 VNN1 4480/4885P2RX7 953/4885PDE10A 3482/4885

“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.