SCHEMBL3573426

SCHEMBL3573426

CC(=O)NCC=C1CCc2ccc3nn(C)c(C)c3c21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.59
MTNR1B P49286 14/20 0.59
NQO2 P16083 2/20 0.34
CHRM4 P08173 6/20 0.33

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
SCHEMBL3573423 1.00 MTNR1A (0.59) MTNR1AMTNR1BNQO2CHRM4
SCHEMBL3574425 0.80 MTNR1A (0.34) MTNR1AMTNR1BCHRM4
SCHEMBL3579008 0.79 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL3579010 0.79 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL2294573 0.74 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL2299352 0.74 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2294579 0.74 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL2299350 0.74 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL2297698 0.73 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL2297697 0.73 MTNR1A (0.67) MTNR1AMTNR1BNQO2

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-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 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-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH MTNR1A 1/4885MTNR1B 2/4885NQO2 747/4885

“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.