SCHEMBL1963460

SCHEMBL1963460

CC(C)(C)OC(=O)NC1CCc2cccc(N=C=S)c2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.47
MTNR1B P49286 10/20 0.47
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
EPHX2 P34913 1/20 0.44
DRD2 P14416 2/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL1965788 0.80 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL14893577 0.80 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL14591344 0.80 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8074255 0.80 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL14904932 0.78 MTNR1A (0.50) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1962875 0.77 MTNR1A (0.40) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL3682479 0.77 MTNR1A (0.66) MTNR1AMTNR1BEPHX2DRD2CA1
SCHEMBL29565539 0.77 MTNR1A (0.66) MTNR1AMTNR1BEPHX2DRD2CA1
SCHEMBL20558275 0.75 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL1963207 0.71 CA1 (0.59) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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 MTNR1A 32/4885MTNR1B 51/4885CYP1A2 1044/4885
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E MTNR1A 32/4885MTNR1B 51/4885CYP1A2 1044/4885
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E MTNR1A 32/4885MTNR1B 51/4885CYP1A2 1044/4885

“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.