SCHEMBL543683

SCHEMBL543683

CC(=O)NCC1CC1c1cccc2nc(C)cn12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.41
MTNR1A P48039 11/20 0.41
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RIPK1 Q13546 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 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
SCHEMBL543615 0.89 MTNR1B (0.48) MTNR1BMTNR1ANPSR1KDM4EHSD17B10
SCHEMBL543418 0.84 MTNR1A (0.39) MTNR1BMTNR1ANPSR1RIPK1
SCHEMBL544062 0.81 GRIN2A (0.32) KDM4EKMT2AALDH1A1GAA
SCHEMBL543625 0.79 MTNR1B (0.43) MTNR1BMTNR1ANPSR1RIPK1
SCHEMBL543423 0.76 RXFP1 (0.42) KDM4EKMT2AALDH1A1GAAGLA
SCHEMBL543377 0.74 MTNR1A (0.45) MTNR1BMTNR1A
SCHEMBL543881 0.73 GAA (0.43) NPSR1KDM4EHSD17B10KMT2AALDH1A1
SCHEMBL543470 0.68 MTNR1B (0.48) MTNR1BMTNR1A
SCHEMBL543385 0.67 MTNR1B (0.53) MTNR1BMTNR1A
SCHEMBL8098498 0.67 HTR2C (0.56) MTNR1BMTNR1AHSD17B10

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
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 1/4885NPSR1 158/4885

“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.