SCHEMBL543148

SCHEMBL543148

Cn1cc2c(C3CC3C(=O)O)c(F)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
FFAR1 O14842 10/20 0.35
CYP2C8 P10632 5/20 0.35
CYP2C9 P11712 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL10257589 0.83 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL2777455 0.79 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOB
SCHEMBL2776905 0.79 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOB
SCHEMBL2778912 0.79 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOB
SCHEMBL543689 0.78 MTNR1A (0.38) MTNR1AMTNR1BMAOAMAOB
SCHEMBL543688 0.78 MTNR1A (0.38) MTNR1AMTNR1BMAOAMAOB
SCHEMBL543299 0.76 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOB
SCHEMBL543518 0.76 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOB
SCHEMBL543181 0.76 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOB
SCHEMBL543899 0.76 SYK (0.38) MTNR1AMTNR1BFFAR1FFAR4

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 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.