SCHEMBL13675925

SCHEMBL13675925

COc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
ALDH1A1 P00352 5/20 0.73
MAPT P10636 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
MAPK1 P28482 1/20 0.73
RAB9A P51151 5/20 0.72
NPC1 O15118 4/20 0.72
TRPV1 Q8NER1 1/20 0.71
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
TP53 P04637 2/20 0.65
PKM P14618 1/20 0.65
POLB P06746 3/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 1/20 0.60
ROCK2 O75116 1/20 0.60
GAA P10253 1/20 0.59

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
SCHEMBL13675938 0.87 TSHR (0.78) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13675930 0.86 RAB9A (0.77) TSHRALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL13675983 0.86 RAB9A (0.77) TSHRALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL13675944 0.85 TSHR (0.74) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL14529166 0.85 RAB9A (0.79) TSHRALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL13675981 0.84 RAB9A (0.77) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13675927 0.84 RAB9A (0.77) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL13675926 0.84 RAB9A (1.00) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13675956 0.83 RAB9A (0.72) TSHRALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL4004820 0.83 TRPV1 (1.00) TSHRALDH1A1MAPTSMN1; SMN2MEN1

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 588/4885ALDH1A1 3238/4885MAPT 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.