SCHEMBL4984558

SCHEMBL4984558

CCN(CC)C(=O)C(C)(C)c1ccc(Nc2nc(C)nc3nc(-c4ncccc4C)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.41
EPHX2 P34913 1/20 0.36
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
GNRHR P30968 1/20 0.33

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
SCHEMBL4976316 0.87 TRPV1 (0.44) TRPV1EPHX2PIK3CAMTOR
SCHEMBL810113 0.87 TRPV1 (0.44) TRPV1EPHX2PIK3CAMTOR
SCHEMBL4973273 0.86 TRPV1 (0.39) TRPV1EPHX2
SCHEMBL4973745 0.83 TRPV1 (0.42) TRPV1EPHX2
SCHEMBL4973730 0.80 TRPV1 (0.46) TRPV1EPHX2
SCHEMBL4972756 0.80 TRPV1 (0.46) TRPV1EPHX2
SCHEMBL4973456 0.79 TRPV1 (0.55) TRPV1
SCHEMBL4919143 0.78 TRPV1 (0.47) TRPV1EPHX2
SCHEMBL4973145 0.77 TRPV1 (0.59) TRPV1
SCHEMBL5102755 0.77 MAPT (0.47) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 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-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-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 (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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 TRPV1 244/4885EPHX2 4712/4885PIK3CA 2037/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885EPHX2 2955/4885PIK3CA 3904/4885
US-20060173003-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 TRPV1 244/4885EPHX2 4712/4885PIK3CA 2037/4885

“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.