SCHEMBL543674

SCHEMBL543674

CC(=O)NCC1CC1c1c(C)ccc2nn(C)cc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.51
MTNR1B P49286 11/20 0.51
RIPK1 Q13546 1/20 0.36
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
NQO2 P16083 1/20 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
SCHEMBL543037 0.88 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL543181 0.88 MTNR1A (0.50) MTNR1AMTNR1BRIPK1SLC6A2
SCHEMBL543299 0.88 MTNR1A (0.50) MTNR1AMTNR1BRIPK1SLC6A2
SCHEMBL543518 0.88 MTNR1A (0.50) MTNR1AMTNR1BRIPK1SLC6A2
SCHEMBL543320 0.88 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL544135 0.88 MTNR1A (0.50) MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL544011 0.86 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL543553 0.86 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL544304 0.85 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL544273 0.84 MTNR1A (0.47) MTNR1AMTNR1B

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 9 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-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
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN 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 MTNR1A 1/4885MTNR1B 2/4885RIPK1 4716/4885

“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.