SCHEMBL1369593

SCHEMBL1369593

O=C1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.66
HSD11B1 P28845 15/20 0.58
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.55
RBP4 P02753 1/20 0.54
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL22668886 0.83 EPHX2 (0.73) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL22669112 0.82 EPHX2 (0.71) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL1366662 0.81 EPHX2 (0.69) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL30582915 0.79 EPHX2 (0.68) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL1375423 0.79 EPHX2 (0.68) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL1375425 0.79 EPHX2 (0.68) EPHX2HSD11B1GAARBP4MAPT
SCHEMBL233710 0.79 EPHX2 (1.00) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL1367550 0.79 EPHX2 (0.52) EPHX2HSD11B1GAA
SCHEMBL2844754 0.79 LMNA (0.59) EPHX2HSD11B1LMNAMAPT
SCHEMBL27761289 0.78 HSD11B1 (0.55) EPHX2HSD11B1GAARBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738649-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-22 US disclosed
US-20160318942-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 US disclosed
US-9422293-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-20140135311-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-05-15 US disclosed
EP-2024368-B1 6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPIN-4-YL]-AMINE DERIVATIVES AS MODULATORS OF TRPV1 FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2014-04-30 EP disclosed
US-8673895-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-20110288129-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2011-11-24 US disclosed
US-7998982-B2 Amide derivatives as TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
CN-101801953-A Tetrahydropyridyl carboxamide derivatives as TRPV1 antagonists ABBOTT LAB 2010-08-11 CN disclosed
EP-2185538-A2 TETRAHYDROPYRIDINE CARBOXAMIDE DERIVATIVES AS TRPVL ANTAGONISTS Abbott Laboratories (US) 2010-05-19 EP disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 US disclosed
WO-2007109355-A2 6,7,8, 9 -TETRAHYDRO- 5H- PYRIMIDO [4, 5-D] AZEPIN-4-YL] -AMINE DERIVATIVES AS MODULATORS OF TRPVL FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 WO disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
CN-1849315-A Novel nitrogen-containing heterocyclic amides for the treatment of pain ABBOTT LAB (US) 2006-10-18 CN disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed
US-20050009841-A1 Novel amides useful for treating pain ABBOTT LABORATORIES 2005-01-13 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 (7 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-20160318942-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV2 EPHX2 1579/4885HSD11B1 2987/4885GAA 3383/4885
US-20050009841-A1 Novel amides useful for treating pain OPRL1, OPRK1, FAAH2 EPHX2 948/4885HSD11B1 2183/4885GAA 2322/4885
US-20140135311-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV2 EPHX2 1579/4885HSD11B1 2987/4885GAA 3383/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 EPHX2 2882/4885HSD11B1 4395/4885GAA 2594/4885
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 TRPV1, TRPA1, TRPV2 EPHX2 1697/4885HSD11B1 3033/4885GAA 3378/4885
US-20110288129-A1 AMIDE DERIVATIVES AS TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPA1 EPHX2 912/4885HSD11B1 3218/4885GAA 3258/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G EPHX2 823/4885HSD11B1 3143/4885GAA 1355/4885

“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.