SCHEMBL9998388

SCHEMBL9998388

O=C1CCC(c2ccc(O)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.55
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
DRD4 P21917 1/20 0.40
NOTUM Q6P988 2/20 0.38
PDE10A Q9Y233 3/20 0.36
DEGS1 O15121 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
FYN P06241 1/20 0.32

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
SCHEMBL29410679 0.85 OPRM1 (0.46) ESR2OPRM1OPRL1DRD4NOTUM
SCHEMBL1765638 0.85 OPRM1 (0.46) ESR2OPRM1OPRL1DRD4NOTUM
SCHEMBL8332306 0.82 ESR2 (0.55) ESR2OPRM1OPRL1DRD4NOTUM
SCHEMBL29526783 0.81 OPRM1 (0.43) ESR2OPRM1OPRL1DRD4NOTUM
SCHEMBL1765046 0.81 DEGS1 (0.44) ESR2OPRM1OPRL1DRD4NOTUM
SCHEMBL3143337 0.79 DEGS1 (0.47) ESR2OPRM1OPRL1DRD4NOTUM
SCHEMBL25204037 0.79 OPRM1 (0.40) ESR2OPRM1OPRL1NOTUMPDE10A
SCHEMBL15167960 0.79 OPRM1 (0.40) ESR2OPRM1OPRL1NOTUMPDE10A
SCHEMBL9997953 0.79 ESR2 (0.38) ESR2NOTUMPDE10ACCR2KCNH2
SCHEMBL22048049 0.77 NNMT (0.46) ESR2MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 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 (2 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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ESR2 512/4885OPRM1 448/4885OPRL1 48/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ESR2 512/4885OPRM1 448/4885OPRL1 48/4885

“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.