SCHEMBL3489718

SCHEMBL3489718

CC(C)(C)OC(=O)NC1(C(=O)N(O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
ATM Q13315 1/20 0.45
GPR119 Q8TDV5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
GHSR Q92847 1/20 0.40
STS P08842 1/20 0.40
USP30 Q70CQ3 2/20 0.39
PTPRB P23467 1/20 0.39
PTPN11 Q06124 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL391708 0.79 USP2 (0.45) TSHRALOX15ATMGPR119KDM4E
SCHEMBL6507749 0.78 MEN1 (0.44) TSHRALOX15ATMMEN1KMT2A
SCHEMBL21150818 0.76 TSHR (0.44) TSHRALOX15ATMGPR119KDM4E
SCHEMBL3489715 0.76 TSHR (0.44) TSHRALOX15ATMGPR119KDM4E
SCHEMBL21488504 0.75 HTT (0.44) MEN1KMT2AOPRD1OPRK1KDM1A
SCHEMBL392092 0.75 USP2 (0.44) TSHRALOX15ATMGPR119PKM
SCHEMBL1003450 0.75 USP2 (0.44) TSHRALOX15ATMGPR119
SCHEMBL13403081 0.75 HDAC1 (0.45) TSHRALOX15ATMGPR119GHSR
SCHEMBL3489650 0.74 MAPT (0.43) TSHRGPR119MEN1KMT2A
SCHEMBL1147365 0.74 MEN1 (0.48) MEN1KMT2ATACR1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A TSHR 389/4885ALOX15 4637/4885ATM 1006/4885

“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.