SCHEMBL9998181

SCHEMBL9998181

CC(C)C(=O)NCC1CCC(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
ALDH1A1 P00352 3/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
LIPE Q05469 1/20 0.36
DGAT1 O75907 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL1107035 0.85 TDP1 (0.52) KMT2AMEN1TDP1SMN1; SMN2DPP4
SCHEMBL12026402 0.81 EPHX1 (0.52) KMT2AMEN1TDP1SMN1; SMN2DPP4
SCHEMBL15199665 0.81 EPHX1 (0.47) KMT2AMEN1TDP1SMN1; SMN2DPP4
SCHEMBL4419633 0.79 TDP1 (0.42) TDP1EPHX1
SCHEMBL13581 0.79 EPHX1 (0.55) KMT2AMEN1TDP1SMN1; SMN2DPP4
SCHEMBL19652274 0.79 EPHX1 (0.55) KMT2AMEN1TDP1SMN1; SMN2DPP4
SCHEMBL27393650 0.78 TDP1 (0.45) KMT2AMEN1TDP1SMN1; SMN2DPP4
SCHEMBL2696109 0.77 CYP2D6 (0.52) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL9891788 0.76 BACE1 (0.41) KMT2ATDP1CYP1A2DPP4PREP
SCHEMBL10446115 0.76 ALOX15 (0.54) KMT2ATDP1DPP4PREPFAP

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 KMT2A 963/4885MEN1 4134/4885TDP1 4533/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 KMT2A 963/4885MEN1 4134/4885TDP1 4533/4885

“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.