SCHEMBL543523

SCHEMBL543523

Cc1cc2c(C3CC3C(=O)O)cccn2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.38
FFAR1 O14842 4/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PDE4D Q08499 1/20 0.34
SPR P35270 1/20 0.34
NR4A2 P43354 2/20 0.33
KDM1A O60341 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 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
SCHEMBL10257419 0.84 SPR (0.39) MTNR1AMTNR1BSPRTSHR
SCHEMBL2776106 0.79 MTNR1B (0.40) MTNR1AMTNR1B
SCHEMBL2777245 0.79 MTNR1B (0.40) MTNR1AMTNR1B
SCHEMBL2779850 0.79 MTNR1B (0.40) MTNR1AMTNR1B
SCHEMBL543183 0.77 ALDH1A1 (0.38) MTNR1AMTNR1BPOLB
SCHEMBL543182 0.77 ALDH1A1 (0.38) MTNR1AMTNR1BPOLB
SCHEMBL543434 0.77 KDM4E (0.35) MTNR1AMTNR1B
SCHEMBL543307 0.77 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL13511735 0.77 FFAR1 (0.37) FFAR4FFAR1NR4A2RXRARXRB
SCHEMBL543749 0.75 MTNR1B (0.46) 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 4 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-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 FFAR4 2731/4885FFAR1 2178/4885MTNR1A 1/4885

“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.