SCHEMBL1963207

SCHEMBL1963207

CC(C)(C)OC(=O)NC1CCc2cccc(NC(=O)OCc3ccccc3)c2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
ACHE P22303 2/20 0.59
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
DRD2 P14416 2/20 0.43
TSHR P16473 1/20 0.43
RORC P51449 3/20 0.42
EPHX2 P34913 1/20 0.42
SYK P43405 1/20 0.41

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
SCHEMBL1961942 0.83 CA1 (0.52) CA1CA2ACHENPC1RAB9A
SCHEMBL472400 0.81 TRPV1 (0.53) CA1CA2ACHENPC1RAB9A
SCHEMBL4967574 0.81 CA1 (0.50) CA1CA2ACHENPC1RAB9A
SCHEMBL1961986 0.80 NPC1 (0.50) CA1CA2ACHENPC1RAB9A
SCHEMBL14278347 0.79 CA1 (0.49) CA1CA2ACHENPC1RAB9A
SCHEMBL3944460 0.78 ALDH1A1 (0.69) CA1CA2ACHEKMT2AL3MBTL1
SCHEMBL3944464 0.78 ALDH1A1 (0.69) CA1CA2ACHEKMT2AL3MBTL1
SCHEMBL6153463 0.78 ALDH1A1 (0.69) CA1CA2ACHEKMT2AL3MBTL1
SCHEMBL14893577 0.78 MTNR1A (0.52) CA1CA2ACHEKMT2AL3MBTL1
SCHEMBL472495 0.77 CA1 (0.48) CA1CA2ACHENPC1RAB9A

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
EP-1885704-B1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2011-09-28 EP disclosed
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2011-06-16 US disclosed
US-7902236-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2011-03-08 US disclosed
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2010-01-14 US disclosed
US-7504520-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBVIE INC. 2006-12-14 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 (3 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-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof TRPV1, TMEM109, CACNA1E CA1 2184/4885CA2 1021/4885ACHE 4084/4885
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E CA1 2184/4885CA2 1021/4885ACHE 4084/4885
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E CA1 2184/4885CA2 1021/4885ACHE 4084/4885

“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.