SCHEMBL9999465

SCHEMBL9999465

Nc1nccc2ccc(C(F)(F)F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.52
NOS2 P35228 2/20 0.52
BACE1 P56817 2/20 0.48
F12 P00748 1/20 0.48
PLAU P00749 1/20 0.48
NCF1 P14598 1/20 0.48
NOS1 P29475 1/20 0.48
ROCK1 Q13464 2/20 0.45
CDC7 O00311 1/20 0.44
CDK2 P24941 1/20 0.44
DYRK1A Q13627 2/20 0.43
GSK3B P49841 1/20 0.43
MAT2A P31153 1/20 0.43
RIPK1 Q13546 3/20 0.41
CNR2 P34972 2/20 0.40
F10 P00742 1/20 0.40
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL29339726 0.82 F12 (0.48) NOS3NOS2BACE1F12PLAU
SCHEMBL9998301 0.79 MAPK1 (0.43) NOS3NOS2BACE1NCF1CDC7
SCHEMBL5989271 0.75 F12 (0.57) NOS3NOS2BACE1F12PLAU
SCHEMBL29508479 0.75 F12 (0.57) NOS3NOS2BACE1F12PLAU
SCHEMBL9999232 0.75 MAT2A (0.46) NOS3NOS2MAT2ACNR2SCN9A
SCHEMBL22579799 0.74 FEN1 (0.53) NOS3NOS2BACE1F12ROCK1
SCHEMBL18623282 0.72 KLKB1 (0.39) NOS3NOS2BACE1F12PLAU
SCHEMBL12310592 0.72 KIF11 (0.44) BACE1EPHX2METAP2
SCHEMBL12472954 0.72 KIF11 (0.44) BACE1EPHX2METAP2
SCHEMBL3747200 0.72 NOS3 (0.53) NOS3NOS2BACE1F12PLAU

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 14 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
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
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 NOS3 1274/4885NOS2 683/4885BACE1 3321/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 NOS3 1274/4885NOS2 683/4885BACE1 3321/4885

“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.