SCHEMBL13675785

SCHEMBL13675785

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.62
MAOB P27338 6/20 0.59
MAOA P21397 6/20 0.59
TRPV1 Q8NER1 1/20 0.55
GPR183 P32249 1/20 0.54
ACHE P22303 1/20 0.52
ESR1 P03372 1/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MCHR1 Q99705 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL13675782 0.90 ESR1 (0.63) HDAC2MAOBMAOATRPV1GPR183
SCHEMBL14566166 0.88 HDAC2 (0.58) HDAC2MAOBMAOAACHEMAPT
SCHEMBL13675790 0.84 MAOB (0.60) HDAC2MAOBTRPV1ACHEESR1
SCHEMBL4003273 0.84 TRPV1 (0.60) HDAC2TRPV1MAPTRAB9A
SCHEMBL4003267 0.84 TRPV1 (0.60) HDAC2TRPV1MAPTRAB9A
SCHEMBL3445738 0.80 HDAC2 (0.82) HDAC2GPR183ACHE
SCHEMBL3445735 0.80 HDAC2 (0.82) HDAC2GPR183ACHE
SCHEMBL13675807 0.78 TRPV1 (0.61) HDAC2MAOBMAOATRPV1ACHE
SCHEMBL13675794 0.78 KDR (0.48) HDAC2MAOBMAOAACHEMAPT
SCHEMBL13675835 0.78 TRPV1 (0.61) HDAC2TRPV1ACHEMAPTNPC1

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-1780196-A2 Pyridine derivatives for use as vanilloid receptor ligands Amgen, Inc (US) 2007-05-02 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 HDAC2 892/4885MAOB 1152/4885MAOA 895/4885

“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.