SCHEMBL4067687

SCHEMBL4067687

CC(C)(C)OC(=O)N1CCC2(CC1)OCc1c[nH]c(=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 6/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACACB O00763 2/20 0.37
▸ OXTR P30559 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ DDB1 Q16531 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
SCHEMBL4074124 0.91 AVPR1A (0.46) AVPR1AKDM4EMAPTTHRBGPR119
SCHEMBL12701623 0.81 AVPR1A (0.50) AVPR1AGPR119MCHR1ESR2USP2
SCHEMBL30623466 0.81 AVPR1A (0.50) AVPR1AGPR119MCHR1ESR2USP2
SCHEMBL1002842 0.80 AVPR1A (0.46) AVPR1AKDM4EMAPTTHRBGPR119
SCHEMBL17586450 0.80 AVPR1A (0.49) AVPR1AGPR119MCHR1ESR2USP2
SCHEMBL4072375 0.78 AVPR1A (0.45) AVPR1AGPR119MCHR1ESR2USP2
SCHEMBL4069303 0.78 AVPR1A (0.46) AVPR1AKDM4EMAPTTHRBGPR119
SCHEMBL30508320 0.76 AVPR1A (0.49) AVPR1AGPR119ESR2USP2SMN1; SMN2
SCHEMBL2159558 0.76 AVPR1A (0.49) AVPR1AESR2OXTR
SCHEMBL30743086 0.76 NR1H2 (0.56) AVPR1AGPR119ESR2USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 — — US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 — — 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-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 AVPR1A 364/4885KDM4E 1981/4885MAPT 4277/4885

“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.

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