SCHEMBL13675835

SCHEMBL13675835

O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.61
ACHE P22303 1/20 0.48
HDAC2 Q92769 1/20 0.47
CDK8 P49336 3/20 0.47
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CHRNA7 P36544 1/20 0.43
MAPT P10636 2/20 0.43
EGFR P00533 1/20 0.43
PRKCI P41743 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NAMPT P43490 3/20 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
SCHEMBL13675834 0.92 TRPV1 (0.64) TRPV1HDAC2CDK8CA12CA9
SCHEMBL13675807 0.90 TRPV1 (0.61) TRPV1ACHEHDAC2CDK8NPC1
SCHEMBL13675790 0.84 MAOB (0.60) TRPV1ACHEHDAC2CA12CA9
SCHEMBL13675831 0.81 TRPV1 (0.64) TRPV1HDAC2CDK8RAB9AMAPT
SCHEMBL4000123 0.81 TRPV1 (0.63) TRPV1ACHECDK8NPC1RAB9A
SCHEMBL4000115 0.81 TRPV1 (0.63) TRPV1ACHECDK8NPC1RAB9A
SCHEMBL13675794 0.79 KDR (0.48) ACHEHDAC2CDK8CA12CA9
SCHEMBL13675820 0.78 TRPV1 (0.49) TRPV1ACHECDK8NPC1RAB9A
SCHEMBL14566166 0.78 HDAC2 (0.58) ACHEHDAC2NPC1RAB9AMAPT
SCHEMBL13675785 0.78 HDAC2 (0.62) TRPV1ACHEHDAC2NPC1RAB9A

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.