SCHEMBL4000413

SCHEMBL4000413

COc1cc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 1.00
KDM1A O60341 9/20 0.67
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
MTOR P42345 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL4000407 1.00 TRPV1 (1.00) TRPV1KDM1AMAPTSMN1; SMN2TP53
SCHEMBL13675643 0.91 TRPV1 (1.00) TRPV1KDM1AMAPTSMN1; SMN2TP53
SCHEMBL4001584 0.90 TRPV1 (1.00) TRPV1MAPTSMN1; SMN2TP53MEN1
SCHEMBL4001591 0.90 TRPV1 (1.00) TRPV1MAPTSMN1; SMN2TP53MEN1
SCHEMBL13675665 0.87 TRPV1 (0.80) TRPV1MAPTSMN1; SMN2TP53MEN1
SCHEMBL13675645 0.85 TRPV1 (0.78) TRPV1MAPTSMN1; SMN2MEN1MAPK1
SCHEMBL30568744 0.84 KDM1A (0.79) TRPV1KDM1AMAPTSMN1; SMN2TP53
SCHEMBL13675757 0.82 TRPV1 (0.78) TRPV1MAPTSMN1; SMN2TP53MEN1
SCHEMBL9695844 0.81 TRPV1 (1.00) TRPV1MAPTSMN1; SMN2TP53MEN1
SCHEMBL13675629 0.81 TRPV1 (1.00) TRPV1MAPTSMN1; SMN2TP53MEN1

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
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US claimed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP claimed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP claimed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US claimed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 WO claimed
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US 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
WO-2008046788-A1 SKIN BENEFIT COMPOSITIONS WITH A VANILLOID RECEPTOR ANTAGONIST UNILEVER PLC (GB) 2008-04-24 WO disclosed
EP-1780196-A2 Pyridine derivatives for use as vanilloid receptor ligands Amgen, Inc (US) 2007-05-02 EP disclosed
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 EP disclosed
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-02-09 US disclosed
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP disclosed
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-10-13 US disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 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 (6 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-20050272931-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885KDM1A 3440/4885MAPT 755/4885
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885KDM1A 3440/4885MAPT 755/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885KDM1A 3014/4885MAPT 653/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 TRPV1 1/4885KDM1A 3440/4885MAPT 755/4885
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 TRPV1 1/4885KDM1A 3440/4885MAPT 755/4885
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 15/4885KDM1A 2929/4885MAPT 3088/4885

“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.