SCHEMBL2776905

SCHEMBL2776905

Cn1cc2c([C@H]3C[C@@H]3CNC(=O)O)c(F)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
RIPK1 Q13546 1/20 0.33
MET P08581 3/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KDM1A O60341 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL2777455 1.00 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOBRIPK1
SCHEMBL2778912 1.00 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOBRIPK1
SCHEMBL543299 0.91 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOBRIPK1
SCHEMBL543181 0.91 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOBRIPK1
SCHEMBL543518 0.91 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOBRIPK1
SCHEMBL543997 0.89 MTNR1B (0.52) MTNR1AMTNR1BMAOAMAOBMET
SCHEMBL543998 0.89 MTNR1B (0.52) MTNR1AMTNR1BMAOAMAOBMET
SCHEMBL10258212 0.86 MTNR1A (0.39) MTNR1AMTNR1BDRD2DRD3
SCHEMBL10257437 0.86 MTNR1A (0.39) MTNR1AMTNR1BDRD2DRD3
SCHEMBL10257851 0.86 MTNR1A (0.39) MTNR1AMTNR1BDRD2DRD3

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
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP 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 2/4885MAOA 57/4885

“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.