SCHEMBL13675658

SCHEMBL13675658

O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.67
MAOB P27338 2/20 0.60
TRPV1 Q8NER1 1/20 0.60
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MCHR1 Q99705 9/20 0.54
HDAC3 O15379 1/20 0.52
ADAM17 P78536 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 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
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 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
SCHEMBL13675790 0.91 MAOB (0.60) ESR1MAOBTRPV1CA12CA9
SCHEMBL3999362 0.88 TRPV1 (0.61) TRPV1MEN1LMNAMAPTKMT2A
SCHEMBL3997862 0.88 TRPV1 (0.61) TRPV1MEN1LMNAMAPTKMT2A
SCHEMBL13675791 0.84 ESR1 (0.58) ESR1MAOBTRPV1CA12CA9
SCHEMBL13675782 0.84 ESR1 (0.63) ESR1MAOBTRPV1MCHR1HDAC2
SCHEMBL14529039 0.84 BACE1 (0.52) ESR1MAOBTRPV1CA12CA9
SCHEMBL13675793 0.84 ESR1 (0.49) ESR1MAOBTRPV1CA12CA9
SCHEMBL13675834 0.84 TRPV1 (0.64) ESR1TRPV1CA12CA9CA1
SCHEMBL22803601 0.81 ESR1 (0.78) ESR1TRPV1CA12CA9CA1
SCHEMBL4003267 0.79 TRPV1 (0.60) TRPV1HDAC2MEN1LMNAMAPT

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 ESR1 2712/4885MAOB 1152/4885TRPV1 1/4885

“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.