SCHEMBL3784933

SCHEMBL3784933

COC(=O)C=Cc1ccc(C(C)(C)C)nc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.50
PRKDC P78527 2/20 0.43
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PIK3CA P42336 2/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 2/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3784931 1.00 TRPV1 (0.50) TRPV1PRKDCMAPTKMT2ANPC1
SCHEMBL14302773 0.90 TRPV1 (0.61) TRPV1PRKDCMAPTKMT2ANPC1
SCHEMBL3772907 0.87 TRPV1 (0.50) TRPV1MAPTKMT2ANPC1RAB9A
SCHEMBL3772909 0.87 TRPV1 (0.50) TRPV1MAPTKMT2ANPC1RAB9A
SCHEMBL3102895 0.78 TRPV1 (0.58) TRPV1
SCHEMBL3102903 0.78 TRPV1 (0.58) TRPV1
SCHEMBL3777869 0.75 TRPV1 (0.63) TRPV1MAPTKMT2AMEN1PIK3CA
SCHEMBL3777867 0.75 TRPV1 (0.63) TRPV1MAPTKMT2AMEN1PIK3CA
SCHEMBL19078522 0.69 TRPV1 (0.43) TRPV1MAPTKMT2ANPC1RAB9A
SCHEMBL3096143 0.67 TRPV1 (0.52) TRPV1MAPTKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TRPV1 1/4885PRKDC 4215/4885MAPT 4340/4885

“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.