SCHEMBL13744690

SCHEMBL13744690

CC(C)(C)OC(=O)N1CCC(=Cc2cccc(-c3cccc(CN)c3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
NR1H2 P55055 2/20 0.41
USP30 Q70CQ3 2/20 0.39
GPR119 Q8TDV5 4/20 0.38
CRBN Q96SW2 1/20 0.38
ESR2 Q92731 1/20 0.38
STS P08842 1/20 0.37
PARP14 Q460N5 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
HDAC2 Q92769 1/20 0.37
KIT P10721 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL13753275 0.84 HSD17B3 (0.37) GRM5HDAC2
SCHEMBL27621253 0.83 NR1H2 (0.46) GRM5NR1H2GPR119CRBNESR2
SCHEMBL6391453 0.83 GPR119 (0.47) GRM5USP30GPR119CRBNPTPN2
Iodide SCHEMBL6394307 0.82 GPR119 (0.46) GRM5USP30GPR119CRBNPTPN2
SCHEMBL12053473 0.82 GRM5 (0.43) GRM5NR1H2USP30GPR119CRBN
SCHEMBL1363015 0.81 GRM5 (0.48) GRM5USP30GPR119CRBNESR2
SCHEMBL27233567 0.81 NR1H2 (0.53) GRM5NR1H2GPR119ESR2PARP14
SCHEMBL1009267 0.81 ESR2 (0.53) GRM5NR1H2GPR119ESR2PARP14
SCHEMBL27233616 0.80 RET (0.49) GRM5USP30GPR119
SCHEMBL27233612 0.80 GPR119 (0.48) GRM5USP30GPR119CRBNKIT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US 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-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 GRM5 802/4885NR1H2 219/4885USP30 3887/4885

“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.