SCHEMBL9998378

SCHEMBL9998378

FC(F)(F)C(F)(F)c1ccc2ccnc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
PARG Q86W56 1/20 0.38
CCRL2 O00421 1/20 0.36
CNR2 P34972 2/20 0.33
HIPK2 Q9H2X6 1/20 0.33
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
GRM4 Q14833 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL9998301 0.86 MAPK1 (0.43) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL12032470 0.78 CYP3A4 (0.38) CYP3A4CCRL2CNR2GRM4
SCHEMBL21870514 0.75 LMNA (0.56) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL25429249 0.74 KCNH2 (0.44) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL1315422 0.73 MAPT (0.47) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL20595229 0.72 NOS3 (0.43) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL30450234 0.72 NOS3 (0.43) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL29786977 0.72 LMNA (0.50) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL1317870 0.72 LMNA (0.50) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL6992160 0.71 CYP3A4 (0.55) LMNACYP3A4MAPTAPEX1MAPK1

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
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
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 LMNA 4185/4885CYP3A4 1373/4885MAPT 4845/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 LMNA 4185/4885CYP3A4 1373/4885MAPT 4845/4885

“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.