SCHEMBL9999019

SCHEMBL9999019

CCC(NC(=O)OC)C1CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
IDO1 P14902 10/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
P2RX7 Q99572 3/20 0.33
CCRL2 O00421 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL15373221 0.86 IDO1 (0.38) THRBIDO1P2RX7CCRL2CYP2C19
SCHEMBL13072326 0.86 IDO1 (0.38) THRBIDO1P2RX7CCRL2CYP2C19
SCHEMBL9998116 0.83 THRB (0.35) THRBIDO1MMP1MMP2MMP3
SCHEMBL9998067 0.83 IDO1 (0.35) THRBIDO1MMP1MMP2MMP3
SCHEMBL20707013 0.83 EPHX1 (0.38) THRBIDO1MMP2P2RX7CCRL2
SCHEMBL9998291 0.82 THRB (0.34) THRBIDO1CCRL2CYP1A2
SCHEMBL9999249 0.81 THRB (0.36) THRBIDO1CCRL2CYP1A2
SCHEMBL9998056 0.79 CCRL2 (0.34) THRBIDO1MMP1MMP2MMP3
SCHEMBL14864801 0.79 SMN1; SMN2 (0.33) IDO1CCRL2SMN1; SMN2CYP2C19NR1I2
SCHEMBL9998751 0.78 CCRL2 (0.36) THRBIDO1CCRL2CYP1A2

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-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
CN-103097375-A Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV 2013-05-08 CN 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
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 THRB 1595/4885IDO1 248/4885MMP1 2152/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 THRB 1595/4885IDO1 248/4885MMP1 2152/4885

“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.