SCHEMBL3090599

SCHEMBL3090599

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=Cc1ccc(C(O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.54
TNIK Q9UKE5 1/20 0.51
HDAC1 Q13547 2/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IMPDH2 P12268 1/20 0.43
EGFR P00533 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL3090597 1.00 TRPV1 (0.54) TRPV1TNIKHDAC1MAPTLMNA
SCHEMBL3081563 0.93 MAOB (0.52) TRPV1TNIKHDAC1KDM4ESMN1; SMN2
SCHEMBL3081561 0.93 MAOB (0.52) TRPV1TNIKHDAC1KDM4ESMN1; SMN2
SCHEMBL8029157 0.87 TRPV1 (0.50) TRPV1TNIKHDAC1MAPTLMNA
SCHEMBL3087697 0.84 TRPV1 (0.47) TRPV1TNIKHDAC1MAPTSMN1; SMN2
SCHEMBL3087702 0.84 TRPV1 (0.47) TRPV1TNIKHDAC1MAPTSMN1; SMN2
SCHEMBL3094076 0.83 HDAC1 (0.48) TRPV1TNIKHDAC1MAPTLMNA
SCHEMBL3094063 0.83 HDAC1 (0.48) TRPV1TNIKHDAC1MAPTLMNA
SCHEMBL1119875 0.83 TRPV1 (0.49) TRPV1TNIKHDAC1MAPTLMNA
SCHEMBL1119870 0.83 TRPV1 (0.49) TRPV1TNIKHDAC1MAPTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238103-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 WO 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-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES MKI67, API5, BAD TRPV1 2737/4885TNIK 1561/4885HDAC1 815/4885

“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.