SCHEMBL4728478

SCHEMBL4728478

CC(C)(C)c1ccc(Nc2ncnc3c2CCNC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.52
FYN P06241 1/20 0.41
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
RET P07949 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
SCHEMBL8251107 0.90 TRPV1 (0.52) TRPV1FYNRET
SCHEMBL4871515 0.87 TRPV1 (0.57) TRPV1RET
SCHEMBL4871886 0.83 HTR2A (0.47) TRPV1METKDR
SCHEMBL4868221 0.82 HTR2A (0.48) TRPV1
SCHEMBL6001093 0.81 TRPV1 (0.49) TRPV1
SCHEMBL6001816 0.81 TRPV1 (0.49) TRPV1
SCHEMBL4864851 0.78 TRPV1 (0.52) TRPV1
SCHEMBL17298755 0.77 AR (0.51) TRPV1KDR
SCHEMBL4864806 0.77 PIP4K2A (0.50) TRPV1KDR
SCHEMBL2846226 0.77 TRPV1 (0.57) TRPV1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006062981-A2 ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 WO claimed
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 US claimed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
WO-2008046788-A1 SKIN BENEFIT COMPOSITIONS WITH A VANILLOID RECEPTOR ANTAGONIST UNILEVER PLC (GB) 2008-04-24 WO disclosed
US-20080095720-A1 Vitamin A, Vitamin B3, humectant, aloe vera, pigmentary or sunscreen grade metal oxide, Vitamin C, resorcinol, an antisebum agent, or a hydroxy fatty acid and capsazepine; wrinkle resistance cosmetics CONOPCO, INC., D/B/A UNILEVER (US) 2008-04-24 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
EP-1713807-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-10-25 EP disclosed
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP disclosed
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 US disclosed
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof EVOTEC AG (DE) 2005-12-15 US disclosed
US-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction EVOTEC AG (DE) 2005-09-29 US disclosed
WO-2005070929-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-08-04 WO disclosed
US-20050165032-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US disclosed
WO-2005066171-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-07-21 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-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof OPRL1, AVPR1A, AVPR2 TRPV1 5/4885FYN 1570/4885MET 4535/4885
US-20050165032-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885FYN 285/4885MET 1059/4885
US-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction PARK7, PTGIS, PTGES TRPV1 224/4885FYN 685/4885MET 4039/4885
US-20080095720-A1 Vitamin A, Vitamin B3, humectant, aloe vera, pigmentary or sunscreen grade metal oxide, Vitamin C, resorcinol, an antisebum agent, or a hydroxy fatty acid and capsazepine; wrinkle resistance cosmetics RBP4, ALOX15, ALOX15B TRPV1 15/4885FYN 4693/4885MET 3610/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 TRPV1 1/4885FYN 1853/4885MET 3597/4885

“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.