SCHEMBL615458

SCHEMBL615458

O=C(O)CNC(=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.50
RHOC P08134 2/20 0.49
RHOA P61586 2/20 0.49
DDR1 Q08345 1/20 0.48
EGLN1 Q9GZT9 2/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
VNN1 O95497 2/20 0.44
MLYCD O95822 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB5 P18084 1/20 0.43
ITGB6 P18564 1/20 0.43
ITGB8 P26012 1/20 0.43
ITGA8 P53708 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL615919 0.90 TACR1 (0.59) TACR1RHOCRHOAEGLN1MLYCD
SCHEMBL14528862 0.86 RHOC (0.48) TACR1RHOCRHOADDR1VNN1
SCHEMBL3898783 0.83 KDM4E (0.53) TACR1RHOCRHOAEGLN1HTT
SCHEMBL13753001 0.83 DDR1 (0.55) TACR1RHOCRHOADDR1VNN1
Hydrochloric Acid SCHEMBL6776606 0.82 KDM4E (0.51) TACR1RHOCRHOAEGLN1HTT
SCHEMBL28429392 0.81 TACR1 (0.47) TACR1RHOCRHOADDR1EGLN1
SCHEMBL28050273 0.80 RXRA (0.43) TACR1DDR1RXRARXRBRXRG
SCHEMBL13753113 0.80 ALDH1A1 (0.65) TACR1RHOCRHOADDR1MLYCD
SCHEMBL28115901 0.80 RHOC (0.48) TACR1RHOCRHOADDR1VNN1
SCHEMBL25421238 0.79 TACR1 (0.48) TACR1RHOCRHOADDR1EGLN1

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 10 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
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 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
CN-102317278-A The 4-azetidinyl of CCR2-1-heteroaryl-hexalin antagonist JANSSEN PHARMACEUTICA NV 2012-01-11 CN 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
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 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 (3 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 TACR1 65/4885RHOC 3375/4885RHOA 3259/4885
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 CCR2, CCR1, CCRL2 TACR1 104/4885RHOC 3379/4885RHOA 3786/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 TACR1 65/4885RHOC 3375/4885RHOA 3259/4885

“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.