SCHEMBL615430

SCHEMBL615430

O=C(O)CNC(=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
TAS1R2 Q8TE23 2/20 0.51
PTPRC P08575 2/20 0.50
CTSL P07711 1/20 0.50
PTPN13 Q12923 1/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
MAPK1 P28482 1/20 0.48
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
VNN1 O95497 3/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL14528969 0.87 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL4587938 0.87 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL22288716 0.85 KDM4E (0.52) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL13702336 0.83 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL342843 0.82 KDM4E (0.56) PTPRCCTSLPTPN13KCNQ3KCNQ2
SCHEMBL4588114 0.81 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL25216423 0.81 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL13753115 0.81 ALDH1A1 (0.59) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL9363851 0.80 MAPT (0.52) MAPTCA1CA2
SCHEMBL10889833 0.80 EGLN1 (0.45) PTPRCCTSLPTPN13KDM4EMAPT

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-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
CN-102459227-A 4-azetidinyl-1-phenyl-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2012-05-16 CN disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 TAS1R3 1149/4885TAS1R1 589/4885TAS1R2 681/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 TAS1R3 1149/4885TAS1R1 589/4885TAS1R2 681/4885

“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.