SCHEMBL543899

SCHEMBL543899

Cn1cc2c(C3CC3C(=O)O)cccc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
TNKS O95271 1/20 0.37
CREBBP Q92793 3/20 0.37
BRD4 O60885 1/20 0.37
FFAR1 O14842 3/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
NR4A2 P43354 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
DRD3 P35462 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
SCHEMBL10257416 0.83 MAPT (0.37) MTNR1AMTNR1B
SCHEMBL2776538 0.78 MTNR1B (0.46) MTNR1AMTNR1B
SCHEMBL2777449 0.78 MTNR1B (0.46) MTNR1AMTNR1B
SCHEMBL2775558 0.78 MTNR1B (0.46) MTNR1AMTNR1B
SCHEMBL543095 0.77 SLC6A4 (0.38) TNKSCREBBPBRD4MTNR1AMTNR1B
SCHEMBL543558 0.77 SLC6A4 (0.38) TNKSCREBBPBRD4MTNR1AMTNR1B
SCHEMBL543102 0.77 CREBBP (0.37) SYKTNKSCREBBPBRD4MTNR1A
SCHEMBL543094 0.77 SLC6A4 (0.38) TNKSCREBBPBRD4MTNR1AMTNR1B
SCHEMBL543103 0.77 CREBBP (0.37) SYKTNKSCREBBPBRD4MTNR1A
SCHEMBL543148 0.76 MTNR1A (0.40) FFAR1MTNR1AMTNR1BFFAR4

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 SYK 3014/4885TNKS 4746/4885CREBBP 1443/4885

“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.