SCHEMBL13675790

SCHEMBL13675790

O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
TRPV1 Q8NER1 1/20 0.57
HDAC2 Q92769 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MCHR1 Q99705 8/20 0.54
ESR1 P03372 1/20 0.54
HDAC3 O15379 1/20 0.52
ADAM17 P78536 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL13675658 0.91 ESR1 (0.67) MAOBCA12CA9TRPV1HDAC2
SCHEMBL4003267 0.88 TRPV1 (0.60) TRPV1HDAC2RAB9AMEN1LMNA
SCHEMBL4003273 0.88 TRPV1 (0.60) TRPV1HDAC2RAB9AMEN1LMNA
SCHEMBL3999473 0.84 NPC1 (0.49) MAOBCA12CA9TRPV1MCHR1
SCHEMBL3999469 0.84 NPC1 (0.49) MAOBCA12CA9TRPV1MCHR1
SCHEMBL4003285 0.84 TRPV1 (0.48) MAOBCA12CA9TRPV1MCHR1
SCHEMBL4003290 0.84 TRPV1 (0.48) MAOBCA12CA9TRPV1MCHR1
SCHEMBL14566166 0.84 HDAC2 (0.58) MAOBHDAC2NPC1RAB9AMAPT
SCHEMBL13675785 0.84 HDAC2 (0.62) MAOBTRPV1HDAC2MCHR1ESR1
SCHEMBL13675835 0.84 TRPV1 (0.61) CA12CA9TRPV1HDAC2CA1

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 MAOB 1152/4885CA12 2051/4885CA9 1812/4885

“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.