SCHEMBL4335083

SCHEMBL4335083

COc1nc(Nc2nc(C(C)C)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)ccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 1.00

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
Hydrochloric Acid SCHEMBL5632972 0.99 TRPV1 (0.98) TRPV1
SCHEMBL5634164 0.89 TRPV1 (0.82) TRPV1
SCHEMBL5632980 0.88 TRPV1 (1.00) TRPV1
Hydrochloric Acid SCHEMBL5633012 0.87 TRPV1 (0.98) TRPV1
SCHEMBL4348904 0.87 TRPV1 (0.79) TRPV1
SCHEMBL5632561 0.86 TRPV1 (0.78) TRPV1
SCHEMBL4347171 0.85 TRPV1 (0.80) TRPV1
SCHEMBL4341626 0.85 TRPV1 (1.00) TRPV1
SCHEMBL4183411 0.85 TRPV1 (0.73) TRPV1
Hydrochloric Acid SCHEMBL15517946 0.84 TRPV1 (0.98) TRPV1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135311-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-05-15 US claimed
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 claimed
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 claimed
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 US claimed
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 claimed
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-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
US-20140135311-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-05-15 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
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

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 TRPV1 1/4885
US-20140135311-A1 TETRAHYDRO-PYRIMIDOAZEPINES AS MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV2 TRPV1 1/4885
US-20070225275-A1 Tetrahydro-pyrimidoazepines as modulators of TRPV1 TRPV1, TRPA1, TRPV2 TRPV1 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.