SCHEMBL13675628

SCHEMBL13675628

COc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 1.00
MMP1 P03956 4/20 0.76
MMP2 P08253 4/20 0.76
MMP9 P14780 4/20 0.76
KMT2A Q03164 4/20 0.74
MAPT P10636 3/20 0.74
MEN1 O00255 3/20 0.74
MAPK1 P28482 2/20 0.74
TP53 P04637 2/20 0.74
HDAC6 Q9UBN7 1/20 0.74
ALDH1A1 P00352 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C9 P11712 1/20 0.74
TSHR P16473 1/20 0.74
CYP2C19 P33261 1/20 0.74
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
TDP1 Q9NUW8 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 2/20 0.65

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
SCHEMBL13675631 0.89 TRPV1 (0.80) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL13675787 0.88 TRPV1 (0.79) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL4004442 0.87 TRPV1 (0.76) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL4004437 0.87 TRPV1 (0.76) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL247432 0.86 MMP1 (1.00) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL247434 0.86 MMP1 (1.00) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL247433 0.86 MMP1 (1.00) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL30080242 0.86 MMP1 (1.00) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL3997355 0.85 TRPV1 (0.74) TRPV1MMP1MMP2MMP9KMT2A
SCHEMBL3998085 0.85 TRPV1 (0.74) TRPV1MMP1MMP2MMP9KMT2A

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 8 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
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

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 1/4885MMP1 1052/4885MMP2 1236/4885

“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.