SCHEMBL13675904

SCHEMBL13675904

O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 1.00
MEN1 O00255 3/20 0.79
MAPT P10636 3/20 0.79
KMT2A Q03164 3/20 0.79
RAB9A P51151 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
TSHR P16473 1/20 0.79
MAPK1 P28482 1/20 0.79
MTOR P42345 1/20 0.79
POLB P06746 2/20 0.72
NPC1 O15118 1/20 0.72
ALDH1A1 P00352 1/20 0.72
MAOB P27338 1/20 0.62

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
SCHEMBL3091928 0.88 TRPV1 (1.00) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL4005748 0.88 TRPV1 (1.00) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL3091940 0.88 TRPV1 (1.00) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL13675909 0.87 TRPV1 (0.80) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL13675903 0.86 TRPV1 (1.00) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL13675848 0.85 TRPV1 (0.74) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL14566157 0.85 TRPV1 (0.79) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL3996198 0.84 TRPV1 (0.72) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL3999186 0.84 TRPV1 (0.72) TRPV1MEN1MAPTKMT2ARAB9A
SCHEMBL13675687 0.84 TRPV1 (0.72) TRPV1MEN1MAPTKMT2ARAB9A

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 1/4885MEN1 3504/4885MAPT 755/4885

“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.