SCHEMBL13675885

SCHEMBL13675885

COc1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 1.00
MMP1 P03956 4/20 0.76
MMP2 P08253 4/20 0.76
MMP9 P14780 4/20 0.76
EGFR P00533 2/20 0.76
TNIK Q9UKE5 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 3/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 2/20 0.57
HDAC1 Q13547 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL27770381 0.84 MMP1 (0.80) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL13675634 0.83 MMP1 (0.72) TRPV1MMP1MMP2MMP9TNIK
SCHEMBL13675779 0.83 MMP1 (0.74) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL13675644 0.82 TRPV1 (0.69) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL296725 0.82 SMN1; SMN2 (0.77) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL13675877 0.81 TRPV1 (0.67) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL13675867 0.80 TNIK (1.00) TRPV1TNIKSMN1; SMN2RAB9AMAPT
SCHEMBL13675771 0.80 TRPV1 (0.75) TRPV1TNIKSMN1; SMN2RAB9AMAPT
SCHEMBL13675649 0.80 TRPV1 (0.66) TRPV1MMP1MMP2MMP9EGFR
SCHEMBL13676272 0.79 TRPV1 (0.65) TRPV1MMP1MMP2MMP9EGFR

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.