SCHEMBL13675939

SCHEMBL13675939

O=C(CCc1cccc(OC(F)(F)F)c1)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.67
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
MAPT P10636 3/20 0.56
ALOX15 P16050 1/20 0.56
LMNA P02545 3/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL13675944 0.88 TSHR (0.74) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL13675940 0.84 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL13675932 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL14529052 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL13675926 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL13676061 0.80 TRPV1 (0.78) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL13675928 0.78 TRPV1 (0.79) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL13675936 0.78 RAB9A (0.76) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL13675934 0.77 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TSHRNFKB1
SCHEMBL13675931 0.77 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TSHRNFKB1

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 6 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

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.