SCHEMBL543181

SCHEMBL543181

CC(=O)NC[C@H]1C[C@@H]1c1c(F)ccc2nn(C)cc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.50
MTNR1B P49286 10/20 0.50
SLC6A2 P23975 4/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
RIPK1 Q13546 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
SCHEMBL543299 1.00 MTNR1A (0.50) MTNR1AMTNR1BSLC6A2MAOAMAOB
SCHEMBL543518 1.00 MTNR1A (0.50) MTNR1AMTNR1BSLC6A2MAOAMAOB
SCHEMBL2777455 0.91 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOBRIPK1
SCHEMBL2778912 0.91 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOBRIPK1
SCHEMBL2776905 0.91 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOBRIPK1
SCHEMBL543997 0.89 MTNR1B (0.52) MTNR1AMTNR1BMAOAMAOB
SCHEMBL543998 0.89 MTNR1B (0.52) MTNR1AMTNR1BMAOAMAOB
SCHEMBL543674 0.88 MTNR1A (0.51) MTNR1AMTNR1BSLC6A2RIPK1
SCHEMBL544135 0.87 MTNR1A (0.50) MTNR1AMTNR1BSLC6A2MAOAMAOB
SCHEMBL543320 0.87 MTNR1A (0.50) 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 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-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

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 2/4885SLC6A2 276/4885

“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.