SCHEMBL9998751

SCHEMBL9998751

CCC(NC(=O)C(F)(F)F)C1CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 1/20 0.36
IDO1 P14902 5/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NQO2 P16083 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL9998116 0.81 THRB (0.35) CCRL2IDO1THRBCYP1A2
SCHEMBL9998067 0.81 IDO1 (0.35) IDO1THRBCYP1A2
SCHEMBL9998291 0.80 THRB (0.34) CCRL2IDO1THRBCYP1A2
SCHEMBL9999019 0.78 THRB (0.40) CCRL2IDO1THRBCYP1A2
SCHEMBL9999249 0.78 THRB (0.36) CCRL2IDO1THRBCYP1A2
SCHEMBL9998056 0.77 CCRL2 (0.34) CCRL2IDO1THRBCYP1A2
SCHEMBL14432011 0.76 EPHX1 (0.35) CCRL2IDO1
Hydrochloric Acid SCHEMBL5463207 0.75 EPHX1 (0.34) CCRL2
SCHEMBL9998695 0.74 SMN1; SMN2 (0.38) CCRL2IDO1
SCHEMBL14444080 0.74 CCRL2 (0.35) CCRL2IDO1

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
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
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-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
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
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO 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 CCRL2 6/4885IDO1 248/4885THRB 1595/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CCRL2 6/4885IDO1 248/4885THRB 1595/4885

“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.