SCHEMBL3315608

SCHEMBL3315608

COc1cc(N2CC3CC2CN3C(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
GPR119 Q8TDV5 2/20 0.44
HSD11B1 P28845 1/20 0.43
PARP1 P09874 1/20 0.43
AR P10275 3/20 0.40
RET P07949 2/20 0.40
IDH1 O75874 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
PDE4B Q07343 3/20 0.37
MAPK8 P45983 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
FAAH O00519 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
SCHEMBL3315611 1.00 HDAC1 (0.47) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL31126227 0.90 GPR119 (0.46) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL27175311 0.88 HDAC1 (0.45) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL30833054 0.88 HDAC1 (0.45) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL24620612 0.88 HDAC1 (0.45) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL24620260 0.88 HDAC1 (0.45) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL30833056 0.88 HDAC1 (0.45) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL30412361 0.85 HDAC1 (0.47) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL30411723 0.85 HDAC1 (0.47) HDAC1GPR119HSD11B1PARP1AR
SCHEMBL30412220 0.84 HDAC1 (0.47) HDAC1GPR119HSD11B1PARP1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS HDAC1 1720/4885GPR119 365/4885HSD11B1 1067/4885

“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.