SCHEMBL13675944

SCHEMBL13675944

O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
TRPV1 Q8NER1 1/20 0.67
ALDH1A1 P00352 6/20 0.60
MAPT P10636 4/20 0.59
LMNA P02545 3/20 0.59
POLB P06746 2/20 0.59
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
HPGD P15428 2/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
GAA P10253 1/20 0.52

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
SCHEMBL13675939 0.88 RAB9A (0.67) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL13675925 0.85 TSHR (1.00) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL13675928 0.85 TRPV1 (0.79) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL13675927 0.83 RAB9A (0.77) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL13675983 0.83 RAB9A (0.77) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL13675938 0.82 TSHR (0.78) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL14529166 0.82 RAB9A (0.79) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL13675930 0.81 RAB9A (0.77) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL13675926 0.81 RAB9A (1.00) TSHRRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL4004820 0.81 TRPV1 (1.00) TSHRRAB9ANPC1SMN1; SMN2TRPV1

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 TSHR 588/4885RAB9A 1356/4885NPC1 2982/4885

“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.