SCHEMBL13675941

SCHEMBL13675941

O=C(CCc1ccccc1C(F)(F)F)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.65
NPC1 O15118 7/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
TRPV1 Q8NER1 1/20 0.56
HPGD P15428 3/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL13676082 0.87 TRPV1 (0.60) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13676079 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13675933 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13675986 0.80 TRPV1 (0.63) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13676062 0.80 TRPV1 (0.60) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13675926 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13675928 0.79 TRPV1 (0.79) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13675932 0.79 RAB9A (0.71) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL28396738 0.78 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13676111 0.78 TRPV1 (0.62) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 RAB9A 1356/4885NPC1 2982/4885SMN1; SMN2 2515/4885

“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.