SCHEMBL9999232

SCHEMBL9999232

COc1nccc2ccc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.46
GAK O14976 6/20 0.43
RIPK2 O43353 2/20 0.43
NLK Q9UBE8 2/20 0.43
EPHB6 O15197 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
EPHA1 P21709 1/20 0.43
EPHA8 P29322 1/20 0.43
TXK P42681 1/20 0.43
COQ8A Q8NI60 1/20 0.43
EGFR P00533 2/20 0.42
STK16 O75716 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
IRAK3 Q9Y616 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TRPA1 O75762 2/20 0.40
CNR2 P34972 2/20 0.40

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
SCHEMBL9998100 0.79 ABCG2 (0.45) TRPA1CNR2CYP1A2CYP3A4CYP2D6
SCHEMBL8272301 0.78 TRPA1 (0.57) GAKIDO1TDO2TRPA1CYP1A2
SCHEMBL12335848 0.76 MAPT (0.43) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31559378 0.75 PLAU (0.47) GAKRIPK2NLKEPHB6ABL1
SCHEMBL2671619 0.75 PLAU (0.47) GAKRIPK2NLKEPHB6ABL1
SCHEMBL9998301 0.75 MAPK1 (0.43) TRPA1CNR2CYP3A4MAPTNOS3
SCHEMBL26932395 0.75 MAPT (0.43) RIPK2ABL1TRPA1CYP1A2CYP3A4
SCHEMBL8272298 0.75 MAPT (0.46) MAT2AGAKRIPK2NLKCOQ8A
SCHEMBL9999465 0.75 NOS3 (0.52) MAT2ACNR2NOS3NOS2SCN9A
SCHEMBL2240307 0.73 TRPA1 (0.54) TRPA1CYP1A2CYP3A4CYP2D6CYP2C9

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 16 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-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-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
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
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
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 MAT2A 1467/4885GAK 2778/4885RIPK2 2073/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 MAT2A 1467/4885GAK 2778/4885RIPK2 2073/4885

“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.