SCHEMBL9998327

SCHEMBL9998327

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
IDO1 P14902 1/20 0.34
SLC18A3 Q16572 1/20 0.33
PRKCA P17252 3/20 0.33
THRB P10828 1/20 0.32
CCRL2 O00421 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP13 P45452 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
SCHEMBL7671752 0.85 TSHR (0.42) TSHRIDO1SLC18A3CCRL2ALDH1A1
SCHEMBL13347443 0.82 TSHR (0.39) TSHRIDO1SLC18A3CCRL2ALDH1A1
SCHEMBL2380868 0.80 SHBG (0.43) TSHRIDO1ALDH1A1LMNA
SCHEMBL14088062 0.80 SHBG (0.43) TSHRIDO1ALDH1A1LMNA
SCHEMBL9998105 0.78 THRB (0.32) THRBMMP1MMP2MMP3MMP13
SCHEMBL10747014 0.76 TSHR (0.34) TSHRIDO1SLC18A3CCRL2ALDH1A1
SCHEMBL25074937 0.75 HSD11B1 (0.36) TSHRSLC18A3CCRL2ALDH1A1LMNA
SCHEMBL10411815 0.70 POLB (0.37) SLC18A3PRKCA
SCHEMBL2634869 0.70 CYP3A4 (0.34) IDO1THRBLMNACYP1A2
SCHEMBL2311532 0.69 CPN1 (0.39) CYP1A2MMP1MMP2MMP3MMP13

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 TSHR 899/4885IDO1 248/4885SLC18A3 3249/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 TSHR 899/4885IDO1 248/4885SLC18A3 3249/4885

“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.