SCHEMBL4355503

SCHEMBL4355503

Nc1cc(-c2ncccc2C(F)(F)F)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
TRPV1 Q8NER1 13/20 0.46
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
METAP2 P50579 1/20 0.40
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4474506 0.80 PIK3CD (0.49) PIK3CDTRPV1METAP2SMN1; SMN2
SCHEMBL4974100 0.79 TRPV1 (0.51) TRPV1SCN5ASCN9AMETAP2
SCHEMBL4472961 0.79 TRPV1 (0.51) TRPV1SCN5ASCN9AMETAP2
SCHEMBL14430621 0.78 TRPV1 (0.50) TRPV1SCN5ASCN9AMETAP2
SCHEMBL4973903 0.78 TRPV1 (0.52) TRPV1SCN5ASCN9AMETAP2NPC1
SCHEMBL6430247 0.76 CYP2A6 (0.49) TRPV1SCN5ASCN9A
SCHEMBL5481966 0.75 TRPV1 (0.45) TRPV1SCN5ASCN9A
SCHEMBL5478057 0.75 TRPV1 (0.45) TRPV1SCN5ASCN9AMETAP2
SCHEMBL5918391 0.74 TRPV1 (0.47) TRPV1SCN5ASCN9A
SCHEMBL27637538 0.73 TRPV1 (0.52) TRPV1SCN5ASCN9A

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 24 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
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 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
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-20070191374-A1 Substituted cinnolin-4-ylamines NEUROGEN COROPERATION (US) 2007-08-16 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20050070547-A1 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005007652-A2 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO 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-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 (7 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 PIK3CD 2378/4885TRPV1 244/4885SCN5A 904/4885
US-20070191374-A1 Substituted cinnolin-4-ylamines CNR1, GPR174, CNR2 PIK3CD 2878/4885TRPV1 379/4885SCN5A 926/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 PIK3CD 3896/4885TRPV1 36/4885SCN5A 440/4885
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 PIK3CD 1974/4885TRPV1 279/4885SCN5A 860/4885
US-20050070547-A1 Substituted quinolin-4-ylamine analogues PIGS, HRH4, GPR52 PIK3CD 2042/4885TRPV1 281/4885SCN5A 857/4885
US-20040156869-A1 2-substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 PIK3CD 2580/4885TRPV1 297/4885SCN5A 987/4885
US-20040106616-A1 Substituted quinazolin-4-ylamine analogues PIGS, HRH4, GPR88 PIK3CD 2590/4885TRPV1 240/4885SCN5A 885/4885

“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.