SCHEMBL4193086

SCHEMBL4193086

CCOC(=O)C1CCN(c2ncccc2C(F)(F)F)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
TRPV1 Q8NER1 5/20 0.48
GAA P10253 1/20 0.47
RBP4 P02753 2/20 0.46
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL1253240 0.85 ALDH1A1 (0.59) HRH3TRPV1GAARBP4HSD11B1
SCHEMBL27761289 0.84 HSD11B1 (0.55) HRH3TRPV1GAARBP4HSD11B1
SCHEMBL14338319 0.75 CYP2C19 (0.48) TRPV1ALDH1A1MALT1
SCHEMBL1369593 0.72 EPHX2 (0.66) GAARBP4HSD11B1EPHX2
SCHEMBL1367550 0.72 EPHX2 (0.52) TRPV1GAAHSD11B1EPHX2
SCHEMBL4913516 0.72 DGAT1 (0.49) TRPV1RBP4ALDH1A1MALT1EPHX2
SCHEMBL1252470 0.72 TRPV1 (0.66) HRH3TRPV1GAARBP4HSD11B1
SCHEMBL3216080 0.72 TRPV1 (0.69) HRH3TRPV1GAARBP4HSD11B1
SCHEMBL15962957 0.71 OPRM1 (0.58) HRH3TRPV1GAARBP4HSD11B1
SCHEMBL30582915 0.71 EPHX2 (0.68) HRH3TRPV1GAARBP4HSD11B1

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 23 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-9738649-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-22 US disclosed
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-20160318942-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 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-9422293-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 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-8673895-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673895-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
EP-2024368-A2 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, N.V. (BE) 2009-02-18 EP disclosed
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 US disclosed
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 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
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

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-20160318942-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV2 HRH3 32/4885TRPV1 1/4885GAA 3383/4885
US-20140135311-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV2 HRH3 32/4885TRPV1 1/4885GAA 3383/4885
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 TRPV1, TRPA1, TRPV2 HRH3 35/4885TRPV1 1/4885GAA 3378/4885

“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.