SCHEMBL4908258

SCHEMBL4908258

Nc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.67
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RORC P51449 2/20 0.48
PDK1 Q15118 3/20 0.46
PDK2 Q15119 3/20 0.46
PDK3 Q15120 3/20 0.46
PDK4 Q16654 3/20 0.46

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
SCHEMBL4911389 0.90 TRPV1 (0.67) TRPV1PDK1PDK2PDK3PDK4
SCHEMBL5469359 0.88 TRPV1 (0.69) TRPV1PDK1PDK2PDK3PDK4
SCHEMBL4193978 0.85 TRPV1 (0.66) TRPV1RORCPDK1PDK2PDK3
SCHEMBL5934314 0.85 TRPV1 (0.66) TRPV1RORCPDK1PDK2PDK3
SCHEMBL4352817 0.85 TRPV1 (0.65) TRPV1PDK1PDK2PDK3PDK4
SCHEMBL4188954 0.84 RORC (0.53) TRPV1RORCPDK1PDK2PDK3
SCHEMBL4472961 0.81 TRPV1 (0.51) TRPV1
SCHEMBL5934388 0.81 TRPV1 (1.00) TRPV1
SCHEMBL4360226 0.80 TRPV1 (0.69) TRPV1PDK1PDK2PDK3PDK4
SCHEMBL4809441 0.80 KDM4E (0.47) TRPV1KDM4ERORCPDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569925-A1 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-07 EP claimed
WO-2004055003-A1 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-01 WO claimed
CN-102898452-A Heterocyclic compound as TRPV1 blocker, pharmaceutical composition, and pharmaceutical use thereof SUN QUN 2013-01-30 CN disclosed
US-7432275-B2 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION (US) 2008-10-07 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-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
EP-1569926-A1 CARBOXYLIC ACID, PHOSPHATE OR PHOSPHONATE SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-07 EP disclosed
CN-1627944-A Substituted quinazolin-4-ylamine analogues as capsaicin modulators NEUROGEN CORP (US) 2005-06-15 CN disclosed
EP-1471910-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN RECEPTORS NEUROGEN CORPORATION (US) 2004-11-03 EP disclosed
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-08-12 US disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004055004-A1 CARBOXYLIC ACID, PHOSPHATE OR PHOSPHONATE SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION 2004-06-03 US disclosed
WO-2003062209-A2 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS MODULATORS OF CAPSAICIN NEUROGEN CORPORATION (US) 2003-07-31 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 244/4885KDM4E 2662/4885ALDH1A1 2125/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885KDM4E 4717/4885ALDH1A1 606/4885
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 TRPV1 297/4885KDM4E 2859/4885ALDH1A1 1750/4885
US-20080153857-A1 Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues GPR27, GPR88, MUSK TRPV1 211/4885KDM4E 3198/4885ALDH1A1 1388/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 TRPV1 240/4885KDM4E 3001/4885ALDH1A1 1647/4885

“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.