SCHEMBL13675773

SCHEMBL13675773

CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
TRPV1 Q8NER1 11/20 0.60
MAPT P10636 4/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.57
MTOR P42345 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
TP53 P04637 2/20 0.55
MAOB P27338 2/20 0.54
IMPDH2 P12268 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
SCHEMBL11796925 0.88 HDAC6 (0.74) KDRHDAC1HDAC8HDAC6TRPV1
SCHEMBL13675858 0.87 MAPT (0.69) TRPV1MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL11803033 0.85 KDR (0.70) KDRHDAC1HDAC8HDAC6MAPT
SCHEMBL3998173 0.83 TRPV1 (0.62) TRPV1MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL3998178 0.83 TRPV1 (0.62) TRPV1MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL13675769 0.82 MAOB (0.77) HDAC1HDAC8HDAC6TRPV1MAPT
SCHEMBL13547728 0.82 MAPT (0.67) KDRHDAC1HDAC8HDAC6TRPV1
SCHEMBL12387674 0.81 KDR (0.78) KDRHDAC1HDAC8HDAC6TRPV1
SCHEMBL13675774 0.80 TRPV1 (0.74) HDAC1HDAC8HDAC6TRPV1MAPT
SCHEMBL3997772 0.80 TRPV1 (0.58) TRPV1MAPTMAPK1SMN1; 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 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 KDR 51/4885HDAC1 1024/4885HDAC8 1196/4885

“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.