SCHEMBL13675807

SCHEMBL13675807

CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3[nH]ccc3c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.61
ACHE P22303 1/20 0.50
HDAC2 Q92769 1/20 0.47
NAMPT P43490 2/20 0.44
MAOB P27338 2/20 0.44
MCHR1 Q99705 1/20 0.44
CDK8 P49336 1/20 0.43
MAPT P10636 3/20 0.43
MAOA P21397 1/20 0.43
NOTUM Q6P988 1/20 0.43
EGFR P00533 1/20 0.43
PRKCI P41743 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BACE1 P56817 2/20 0.42

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
SCHEMBL13675831 0.92 TRPV1 (0.64) TRPV1HDAC2NAMPTMCHR1CDK8
SCHEMBL13675835 0.90 TRPV1 (0.61) TRPV1ACHEHDAC2NAMPTCDK8
SCHEMBL4003273 0.84 TRPV1 (0.60) TRPV1HDAC2MAPTTP53SMN1; SMN2
SCHEMBL4003267 0.84 TRPV1 (0.60) TRPV1HDAC2MAPTTP53SMN1; SMN2
SCHEMBL4000075 0.83 TRPV1 (0.52) TRPV1ACHEHDAC2MAOBMCHR1
SCHEMBL4000073 0.83 TRPV1 (0.52) TRPV1ACHEHDAC2MAOBMCHR1
SCHEMBL13721006 0.83 TRPV1 (0.58) TRPV1NAMPTMAOBMCHR1MAPT
SCHEMBL4000525 0.83 TRPV1 (0.58) TRPV1NAMPTMAOBMCHR1MAPT
SCHEMBL4000518 0.83 TRPV1 (0.58) TRPV1NAMPTMAOBMCHR1MAPT
SCHEMBL5922334 0.81 TRPV1 (0.56) TRPV1MAOBMCHR1MAPTMAOA

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 1/4885ACHE 488/4885HDAC2 892/4885

“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.