SCHEMBL4071328

SCHEMBL4071328

CC(=O)Nc1cc2c(cn1)C1(CCN(C(=O)OC(C)(C)C)CC1)OC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.44
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
NAMPT P43490 5/20 0.39
NR1H2 P55055 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
ACACB O00763 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL4069516 0.85 NAMPT (0.50) AVPR1APIK3R1PIK3CANAMPTNR1H2
SCHEMBL4317900 0.85 MCHR1 (0.51) AVPR1ANR1H2ACACBGPR119KCNH2
SCHEMBL4065831 0.78 AVPR1A (0.51) AVPR1ANAMPTGPR119
SCHEMBL4316200 0.76 AVPR1A (0.43) AVPR1ANAMPTACACBGPR119MCHR1
SCHEMBL13664936 0.76 L3MBTL1 (0.40) AVPR1AKCNH2MCHR1
SCHEMBL30743086 0.76 NR1H2 (0.56) AVPR1ANAMPTNR1H2GPR119NPC1
SCHEMBL2159558 0.76 AVPR1A (0.49) AVPR1A
SCHEMBL30508320 0.76 AVPR1A (0.49) AVPR1ANR1H2GPR119
SCHEMBL12701623 0.76 AVPR1A (0.50) AVPR1ANR1H2ACACBGPR119MCHR1
SCHEMBL30623466 0.76 AVPR1A (0.50) AVPR1ANR1H2ACACBGPR119MCHR1

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 364/4885PIK3R1 3448/4885PIK3CA 3215/4885

“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.