SCHEMBL543502

SCHEMBL543502

CC(=O)NC[C@@H]1C[C@H]1c1cccn2nc(C)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 19/20 0.46
MTNR1A P48039 18/20 0.46
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK7 P50613 1/20 0.34
TYRO3 Q06418 1/20 0.34
LRRK2 Q5S007 1/20 0.34
AURKB Q96GD4 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL543391 1.00 MTNR1B (0.46) MTNR1BMTNR1AMAP4K4ABL1MAPK8
SCHEMBL13511851 1.00 MTNR1B (0.46) MTNR1BMTNR1AMAP4K4ABL1MAPK8
SCHEMBL543749 1.00 MTNR1B (0.46) MTNR1BMTNR1AMAP4K4ABL1MAPK8
SCHEMBL2776106 0.92 MTNR1B (0.40) MTNR1BMTNR1A
SCHEMBL2777245 0.92 MTNR1B (0.40) MTNR1BMTNR1A
SCHEMBL2779850 0.92 MTNR1B (0.40) MTNR1BMTNR1A
SCHEMBL544156 0.89 MTNR1B (0.51) MTNR1BMTNR1A
SCHEMBL543583 0.89 MTNR1B (0.51) MTNR1BMTNR1A
SCHEMBL543344 0.88 MTNR1B (0.37) MTNR1BMTNR1A
SCHEMBL543345 0.88 MTNR1B (0.37) MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH MTNR1B 2/4885MTNR1A 1/4885MAP4K4 4501/4885

“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.