SCHEMBL2486436

SCHEMBL2486436

CN(C)c1ccc(C2(O)CCC(=O)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
CCR2 P41597 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 1/20 0.35
PROKR1 Q8TCW9 1/20 0.33
OPRL1 P41146 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
MAOB P27338 1/20 0.32
MAP3K11 Q16584 1/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
APP P05067 1/20 0.30
LCAT P04180 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
SCHEMBL2484041 0.80 IDO1 (0.36) KCNH2CCR2MEN1CYP2C9KMT2A
SCHEMBL2513270 0.77 SLC6A4 (0.36) KCNH2CCR2ALOX5APOPRL1OPRM1
SCHEMBL2481816 0.76 P2RX7 (0.36) KCNH2CCR2MEN1CYP2C9KMT2A
SCHEMBL628750 0.76 NNMT (0.41) KCNH2CCR2MEN1KMT2AOPRL1
SCHEMBL613533 0.76 OPRL1 (0.49) MEN1CYP2C9KMT2AOPRL1OPRM1
SCHEMBL2481351 0.74 MAPT (0.44) KCNH2CCR2
SCHEMBL744677 0.73 CCR2 (0.36) KCNH2CCR2MEN1CYP2C9KMT2A
SCHEMBL12208964 0.73 MEN1 (0.32) MEN1CYP2C9KMT2A
SCHEMBL4324309 0.72 CYP2C9 (0.34) MEN1CYP2C9KMT2APOLB
SCHEMBL744117 0.71 OGA (0.45) ALOX5APPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102317278-B 4-azetidinyl-1-heteroaryl-hexalin the antagonist of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2016-01-06 CN disclosed
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 KCNH2 2428/4885CCR2 1/4885MEN1 4256/4885

“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.