SCHEMBL9999237

SCHEMBL9999237

C=CC(NC(=O)O)C1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PYGL P06737 1/20 0.33
CYP2C9 P11712 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP13 P45452 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 2/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 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
SCHEMBL9998860 0.87 TSHR (0.33) ALDH1A1PYGLCYP2C9CTSSCTSK
SCHEMBL2899303 0.80
SCHEMBL12033159 0.80 CTSK (0.34) CTSSCTSKSMN1; SMN2KMT2A
SCHEMBL9998573 0.74 PYGL (0.36) ALDH1A1PYGLCYP2C9CTSSCTSK
SCHEMBL9998770 0.73 SMN1; SMN2 (0.41) ALDH1A1PYGLCYP2C9CTSSCTSK
SCHEMBL9998702 0.72 UGT2B7 (0.31)
SCHEMBL9998090 0.72 ALDH1A1 (0.33) ALDH1A1PYGLCYP2C9CTSSCTSK
SCHEMBL9998906 0.69
SCHEMBL12032971 0.69 CTSS (0.32) CTSSCTSKSMN1; SMN2TSHR
SCHEMBL9998711 0.68

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 ALDH1A1 530/4885PYGL 4746/4885CYP2C9 1130/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ALDH1A1 530/4885PYGL 4746/4885CYP2C9 1130/4885

“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.