SCHEMBL4916591

SCHEMBL4916591

CCOCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.61
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL4908589 0.92 TRPV1 (0.51) TRPV1
SCHEMBL4916376 0.91 TRPV1 (0.60) TRPV1ABCG2
SCHEMBL4908491 0.91 TRPV1 (0.51) TRPV1ABCG2
SCHEMBL4917928 0.91 TRPV1 (0.52) TRPV1ABCG2
SCHEMBL4915278 0.90 TRPV1 (0.62) TRPV1ABCG2
SCHEMBL4917987 0.90 TRPV1 (0.72) TRPV1
SCHEMBL4916616 0.89 TRPV1 (0.63) TRPV1
SCHEMBL4908179 0.88 TRPV1 (0.48) TRPV1
SCHEMBL4916333 0.88 TRPV1 (0.47) TRPV1
SCHEMBL4920761 0.87 TRPV1 (0.46) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-06-26 US claimed
US-7329664-B2 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-02-12 US claimed
US-20050215575-A1 (4-Isopropyl-phenyl)-[2-(tetrahydro-pyran-4-yloxymethyl)-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-yl]-amine; 2-{4-[2-benzyloxymethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-ylamino]-phenyl}-2-methyl-propionitrile; treating conditions related to capsaicin receptor activation NEUROGEN CORPORATION 2005-09-29 US claimed
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 EP claimed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 WO claimed
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-06-26 US disclosed
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-06-26 US disclosed
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-06-26 US disclosed
US-7329664-B2 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-02-12 US disclosed
US-7329664-B2 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-02-12 US disclosed
US-7329664-B2 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues NEUROGEN CORPORATION (US) 2008-02-12 US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-08-03 US disclosed
US-7074799-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-07-11 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20050215575-A1 (4-Isopropyl-phenyl)-[2-(tetrahydro-pyran-4-yloxymethyl)-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-yl]-amine; 2-{4-[2-benzyloxymethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-ylamino]-phenyl}-2-methyl-propionitrile; treating conditions related to capsaicin receptor activation NEUROGEN CORPORATION 2005-09-29 US disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 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 (5 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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 TRPV1 244/4885ABCG2 300/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885ABCG2 654/4885
US-20050215575-A1 (4-Isopropyl-phenyl)-[2-(tetrahydro-pyran-4-yloxymethyl)-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-yl]-amine; 2-{4-[2-benzyloxymethyl-7-(3-trifluoromethyl-pyridin-2-yl)-quinazolin-4-ylamino]-phenyl}-2-methyl-propionitrile; treating conditions related to capsaicin receptor activation TRPV1, CNR2, NTRK1 TRPV1 1/4885ABCG2 1958/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 TRPV1 244/4885ABCG2 300/4885
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues GPR27, GPR88, MUSK TRPV1 211/4885ABCG2 950/4885

“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.