SCHEMBL615919

SCHEMBL615919

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.59
RHOC P08134 6/20 0.57
RHOA P61586 6/20 0.57
CES2 O00748 1/20 0.52
EGLN1 Q9GZT9 1/20 0.50
GAA P10253 1/20 0.50
MLYCD O95822 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 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
SCHEMBL615458 0.90 TACR1 (0.50) TACR1RHOCRHOACES2EGLN1
SCHEMBL3898783 0.89 KDM4E (0.53) TACR1RHOCRHOACES2EGLN1
Hydrochloric Acid SCHEMBL6776606 0.88 KDM4E (0.51) TACR1RHOCRHOAEGLN1GAA
SCHEMBL25421238 0.87 TACR1 (0.48) TACR1RHOCRHOACES2EGLN1
SCHEMBL22400334 0.87 NOTUM (0.50) TACR1RHOCRHOACES2EGLN1
SCHEMBL28429392 0.86 TACR1 (0.47) TACR1RHOCRHOACES2EGLN1
SCHEMBL22400302 0.85 TACR1 (0.46) TACR1RHOCRHOACES2EGLN1
SCHEMBL14529137 0.84 GAA (0.57) TACR1RHOCRHOACES2GAA
SCHEMBL22400427 0.84 NOTUM (0.50) TACR1RHOCRHOAEGLN1KDM4E
SCHEMBL25422743 0.84 TACR1 (0.45) TACR1RHOCRHOACES2EGLN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 US claimed
EP-1670765-A2 CETP INHIBITORS AND METABOLITES THEREOF Pfizer Products Inc. (US) 2006-06-21 EP claimed
WO-2005033082-A2 CETP INHIBITORS AND METABOLITES THEREOF PFIZER PRODUCTS INC. (US) 2005-04-14 WO claimed
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
US-8912341-B2 Enantioselective N-heterocyclic carbene-catalyzed annulation reactions with imidazolidinones NORTHWESTERN UNIVERSITY (US) 2014-12-16 US disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
CN-102459227-B 4-azetidinyl-1-phenyl-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2014-08-20 CN disclosed
US-20140206886-A1 Enantioselective N-heterocyclic carbene-catalyzed annulation reactions with imidazolidinones NORTHWESTERN UNIVERSITY (US) 2014-07-24 US 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
US-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
US-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 US disclosed
US-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 US disclosed
US-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 US disclosed
EP-1670765-A2 CETP INHIBITORS AND METABOLITES THEREOF Pfizer Products Inc. (US) 2006-06-21 EP disclosed
WO-2005033082-A2 CETP INHIBITORS AND METABOLITES THEREOF PFIZER PRODUCTS INC. (US) 2005-04-14 WO disclosed
US-4612185-A Methods and compositions for enhancing magnetic resonance imaging MALLINCKRODT, INC. (US) 1986-09-16 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 (4 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-20070004774-A1 Cept inhibitors and metabolites thereof CETP, LCAT, MTTP TACR1 1028/4885RHOC 2483/4885RHOA 3587/4885
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 CCR2, CCR1, CCRL2 TACR1 104/4885RHOC 3379/4885RHOA 3786/4885
US-20140206886-A1 Enantioselective N-heterocyclic carbene-catalyzed annulation reactions with imidazolidinones NISCH, NIM1K, CDK18 TACR1 3114/4885RHOC 3675/4885RHOA 4717/4885
US-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION RHOA, RHOC, ROCK1 TACR1 4047/4885RHOC 2/4885RHOA 1/4885

“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.