SCHEMBL5863244

SCHEMBL5863244

CC(NC(=O)OC(C)(C)C)c1cccc(N2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
GPR119 Q8TDV5 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ADRB2 P07550 1/20 0.44
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
PANK3 Q9H999 1/20 0.44
ROCK2 O75116 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5863237 1.00 AOC3 (0.47) AOC3GPR119ALDH1A1HPGDLMNA
SCHEMBL6858656 0.84 MEN1 (0.47) GPR119MEN1GFERKMT2AROCK2
SCHEMBL782021 0.84 MEN1 (0.47) GPR119MEN1GFERKMT2AROCK2
SCHEMBL6626168 0.84 MEN1 (0.47) GPR119MEN1GFERKMT2AROCK2
SCHEMBL14830816 0.82 MEN1 (0.47) GPR119ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3978842 0.81 CYP3A4 (0.60) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL6645521 0.81 CYP3A4 (0.60) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL5378296 0.80 ROCK2 (0.44) GPR119ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5863130 0.78 KCNQ3 (0.71) AOC3ALDH1A1LMNAMAPTKDM4E
SCHEMBL5863139 0.78 KCNQ3 (0.71) AOC3ALDH1A1LMNAMAPTKDM4E

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-7087609-B2 3-(pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 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-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers KCNQ3, KCNQ1, KCNQ2 AOC3 3804/4885GPR119 1404/4885ALDH1A1 808/4885

“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.