SCHEMBL4069303

SCHEMBL4069303

Cn1cc2c(cc1=O)COC21CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 4/20 0.46
▸ MCHR1 Q99705 2/20 0.40
▸ ESR2 Q92731 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ ACACB O00763 2/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HRH3 Q9Y5N1 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
SCHEMBL1002842 0.91 AVPR1A (0.46) AVPR1AMCHR1ESR2USP2SMN1; SMN2
SCHEMBL4072375 0.81 AVPR1A (0.45) AVPR1AMCHR1ESR2USP2SMN1; SMN2
SCHEMBL4074124 0.80 AVPR1A (0.46) AVPR1AMCHR1ESR2USP2SMN1; SMN2
SCHEMBL30508320 0.79 AVPR1A (0.49) AVPR1AESR2USP2SMN1; SMN2NR1H2
SCHEMBL30743086 0.79 NR1H2 (0.56) AVPR1AESR2USP2SMN1; SMN2NR1H2
SCHEMBL2159558 0.79 AVPR1A (0.49) AVPR1AESR2
SCHEMBL12701623 0.78 AVPR1A (0.50) AVPR1AMCHR1ESR2USP2SMN1; SMN2
SCHEMBL30623466 0.78 AVPR1A (0.50) AVPR1AMCHR1ESR2USP2SMN1; SMN2
SCHEMBL4067687 0.78 AVPR1A (0.46) AVPR1AMCHR1ESR2USP2SMN1; SMN2
SCHEMBL17586450 0.77 AVPR1A (0.49) AVPR1AMCHR1ESR2USP2SMN1; 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 364/4885MCHR1 730/4885ESR2 44/4885

“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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