SCHEMBL4065831

SCHEMBL4065831

CC(C)(C)OC(=O)N1CCC2(CC1)OCc1ccncc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.51
NAMPT P43490 11/20 0.48
GPR119 Q8TDV5 4/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL30527626 0.88 NR1H2 (0.45) AVPR1ANAMPTGPR119
SCHEMBL25299663 0.88 NR1H2 (0.45) AVPR1ANAMPTGPR119
SCHEMBL30623466 0.81 AVPR1A (0.50) AVPR1AGPR119
SCHEMBL12701623 0.81 AVPR1A (0.50) AVPR1AGPR119
SCHEMBL17586450 0.81 AVPR1A (0.49) AVPR1AGPR119
SCHEMBL4069516 0.80 NAMPT (0.50) AVPR1ANAMPTGPR119
SCHEMBL4317900 0.80 MCHR1 (0.51) AVPR1AGPR119
SCHEMBL4071328 0.78 AVPR1A (0.44) AVPR1ANAMPTGPR119
SCHEMBL2755063 0.78 AVPR1A (0.47) AVPR1A
SCHEMBL4327393 0.78 AVPR1A (0.49) AVPR1AGPR119

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 364/4885NAMPT 3016/4885GPR119 45/4885

“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.