SCHEMBL9998573

SCHEMBL9998573

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
P2RX7 Q99572 6/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP13 P45452 1/20 0.32
CHRNA7 P36544 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9998090 0.88 ALDH1A1 (0.33) PYGLCYP2C9ALDH1A1CTSSCTSK
SCHEMBL9998770 0.86 SMN1; SMN2 (0.41) PYGLCYP2C9ALDH1A1CTSSCTSK
SCHEMBL12033165 0.79 CTSK (0.35) CTSSCTSKSMN1; SMN2TSHRKMT2A
SCHEMBL23100734 0.79 P2RX7 (0.37) P2RX7CHRNA7
SCHEMBL27228996 0.79 P2RX7 (0.37) P2RX7CHRNA7
SCHEMBL10276776 0.79 P2RX7 (0.37) P2RX7CHRNA7
SCHEMBL15824235 0.79 P2RX7 (0.47) PYGLCYP2C9P2RX7CHRNA7MAPK1
SCHEMBL1440106 0.78 P2RX7 (0.36) PYGLCYP2C9P2RX7CHRNA7MAPK1
SCHEMBL9998902 0.75 SMN1; SMN2 (0.41) PYGLCYP2C9ALDH1A1CTSSCTSK
SCHEMBL25297558 0.74 P2RX7 (0.47) ALDH1A1P2RX7KMT2AMMP2CHRNA7

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
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

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

“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.