SCHEMBL15968698

SCHEMBL15968698

O=C(OCC1CC1)c1ccc(OCC2CC2)nn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
CNR2 P34972 7/20 0.39
JMJD6 Q6NYC1 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
LRRK2 Q5S007 1/20 0.36
NNMT P40261 1/20 0.36
ACACB O00763 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
SCHEMBL15968757 0.84 KMO (0.42) GABRA1CNR2PARP15PARP10PARP2
SCHEMBL16463484 0.77 POLB (0.41) GABRA1CNR2JMJD6PARP15PARP10
SCHEMBL15633149 0.74 GRIN2B (0.44) JMJD6
SCHEMBL11661187 0.74 MAPK1 (0.50) JMJD6PARP15PARP10PARP2
SCHEMBL11664017 0.72 CYP1A2 (0.58) CNR2JMJD6
SCHEMBL28897674 0.72 L3MBTL1 (0.50)
SCHEMBL28507405 0.71 CHRM3 (0.47)
SCHEMBL15134602 0.71 CNR2 (0.58) CNR2PARP15PARP10
SCHEMBL2159773 0.71 CHRNB2 (0.50) JMJD6PARP15PARP10PARP2
SCHEMBL2955302 0.70 BCAT2 (0.42) PARP15PARP10PARP2

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
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
CN-103998432-A Bicyclic compounds TAKEDA PHARMACEUTICAL 2014-08-20 CN 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 GABRA1 396/4885CNR2 741/4885JMJD6 2103/4885

“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.