SCHEMBL13675782

SCHEMBL13675782

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.63
TRPV1 Q8NER1 1/20 0.58
HDAC2 Q92769 1/20 0.52
BACE1 P56817 1/20 0.52
MAOA P21397 5/20 0.50
MAOB P27338 5/20 0.50
MAPT P10636 1/20 0.49
GPR183 P32249 1/20 0.48
MCHR1 Q99705 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL13675785 0.90 HDAC2 (0.62) ESR1TRPV1HDAC2MAOAMAOB
SCHEMBL14529039 0.88 BACE1 (0.52) ESR1TRPV1HDAC2BACE1MAOA
SCHEMBL13675658 0.84 ESR1 (0.67) ESR1TRPV1HDAC2MAOBMAPT
SCHEMBL3997862 0.84 TRPV1 (0.61) TRPV1MAPTKDM4ELMNARAB9A
SCHEMBL3999362 0.84 TRPV1 (0.61) TRPV1MAPTKDM4ELMNARAB9A
SCHEMBL29714386 0.80 ESR1 (0.74) ESR1HDAC2MAOAMAOB
SCHEMBL22778049 0.80 ESR1 (0.74) ESR1HDAC2MAOAMAOB
SCHEMBL13675834 0.78 TRPV1 (0.64) ESR1TRPV1HDAC2BACE1MAOA
SCHEMBL13675831 0.78 TRPV1 (0.64) TRPV1HDAC2BACE1MAOAMAPT
SCHEMBL13675793 0.78 ESR1 (0.49) ESR1TRPV1BACE1MAOBMAPT

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 7 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-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 2712/4885TRPV1 1/4885HDAC2 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.