SCHEMBL13675755

SCHEMBL13675755

COc1cc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)ccc1OCCN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.64
MCHR1 Q99705 1/20 0.56
HDAC1 Q13547 8/20 0.55
HDAC3 O15379 7/20 0.55
HDAC4 P56524 7/20 0.55
HDAC7 Q8WUI4 7/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC10 Q969S8 7/20 0.55
HDAC11 Q96DB2 7/20 0.55
HDAC8 Q9BY41 7/20 0.55
HDAC6 Q9UBN7 7/20 0.55
HDAC9 Q9UKV0 7/20 0.55
HDAC5 Q9UQL6 7/20 0.55
SLC2A1 P11166 1/20 0.54
MAOB P27338 2/20 0.53
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 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
SCHEMBL13675757 0.91 TRPV1 (0.78) TRPV1HDAC1SLC2A1MEN1ALDH1A1
SCHEMBL13675759 0.87 HDAC1 (0.62) TRPV1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7605964 0.82 TRPV1 (0.58) TRPV1MCHR1HDAC1HDAC3HDAC4
SCHEMBL7605961 0.82 SLC2A1 (0.69) TRPV1MCHR1HDAC1HDAC3HDAC4
SCHEMBL13675768 0.80 TRPV1 (0.63) TRPV1MCHR1MEN1HPGDKMT2A
SCHEMBL13676135 0.79 HDAC1 (0.54) MCHR1HDAC1HDAC2MAPT
SCHEMBL4001591 0.78 TRPV1 (1.00) TRPV1HDAC1MEN1ALDH1A1HPGD
SCHEMBL4001584 0.78 TRPV1 (1.00) TRPV1HDAC1MEN1ALDH1A1HPGD
SCHEMBL20538231 0.77 HTT (0.69) TRPV1MAOBMEN1ALDH1A1HPGD
SCHEMBL13675665 0.76 TRPV1 (0.80) TRPV1HDAC1MEN1HPGDKMT2A

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 1/4885MCHR1 421/4885HDAC1 1024/4885

“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.