SCHEMBL12425549

SCHEMBL12425549

CC(=O)N/C=C1\CCc2ccc3nc(C)oc3c21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.70
MTNR1B P49286 18/20 0.70
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 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
SCHEMBL2299350 0.82 MTNR1A (1.00) MTNR1AMTNR1BESR1MAPTMAPK10
SCHEMBL11932345 0.79 MTNR1A (0.60) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL12215345 0.78 MTNR1A (0.59) MTNR1AMTNR1B
SCHEMBL2297423 0.76 MTNR1A (1.00) MTNR1AMTNR1BESR1MAPTMAPK10
SCHEMBL2297427 0.76 MTNR1A (1.00) MTNR1AMTNR1BESR1MAPTMAPK10
SCHEMBL11931989 0.76 MTNR1A (1.00) MTNR1AMTNR1BESR1MAPTMAPK10
SCHEMBL2296602 0.74 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL2297410 0.74 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL2297408 0.74 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL2297648 0.73 MTNR1A (0.53) MTNR1AMTNR1BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349879-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-8318784-B2 2012-11-27 US disclosed
US-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 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 (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-20110196003-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885KDM4E 3288/4885

“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.