SCHEMBL13675629

SCHEMBL13675629

COc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 1.00
MAPT P10636 6/20 0.73
TP53 P04637 4/20 0.73
MMP1 P03956 4/20 0.73
MMP2 P08253 4/20 0.73
MMP9 P14780 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
THRB P10828 1/20 0.73
LMNA P02545 3/20 0.71
MAPK1 P28482 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
PKM P14618 1/20 0.71
TSHR P16473 1/20 0.71
NFKB1 P19838 1/20 0.71
CYP2C19 P33261 1/20 0.71
THPO P40225 1/20 0.71
MEN1 O00255 1/20 0.71
NPC1 O15118 1/20 0.71
GMNN O75496 1/20 0.71

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
SCHEMBL9695844 1.00 TRPV1 (1.00) TRPV1MAPTTP53MMP1MMP2
SCHEMBL9695838 1.00 TRPV1 (1.00) TRPV1MAPTTP53MMP1MMP2
SCHEMBL17693073 0.90 MAPT (0.88) TRPV1MAPTTP53MMP1MMP2
SCHEMBL13675631 0.88 TRPV1 (0.80) TRPV1MAPTTP53MMP1MMP2
SCHEMBL13675655 0.85 TRPV1 (0.74) TRPV1MAPTTP53MMP1MMP2
SCHEMBL13675628 0.85 TRPV1 (1.00) TRPV1MAPTTP53MMP1MMP2
SCHEMBL13675663 0.85 TRPV1 (0.76) TRPV1MAPTTP53MMP1MMP2
SCHEMBL13675650 0.85 MMP1 (0.77) TRPV1MAPTTP53MMP1MMP2
SCHEMBL13675775 0.85 TRPV1 (0.76) TRPV1MAPTTP53MMP1MMP2
SCHEMBL14077918 0.84 TRPV1 (0.72) TRPV1MAPTTP53MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
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-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-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed
EP-1780196-A2 Pyridine derivatives for use as vanilloid receptor ligands Amgen, Inc (US) 2007-05-02 EP 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 (1 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 TRPV1 1/4885MAPT 755/4885TP53 1958/4885

“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.