SCHEMBL6911073

SCHEMBL6911073

CCOC(=O)/C=C/C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
TACR1 P25103 1/20 0.46
APP P05067 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
CCR5 P51681 2/20 0.42
OPRM1 P35372 3/20 0.41
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10282908 0.89 GPR119 (0.41) OPRD1OPRK1GPR119
SCHEMBL702437 0.88 LMNA (0.45) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL10247816 0.88 TP53 (0.46) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL702438 0.88 LMNA (0.45) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL701329 0.88 NAMPT (0.46) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL703405 0.88 TP53 (0.46) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL701330 0.88 NAMPT (0.46) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL703404 0.88 TP53 (0.46) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL13661102 0.86 TACR1 (0.49) ALOX15TACR1
SCHEMBL10246476 0.86 TACR1 (0.49) ALOX15TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 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 (2 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-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 TSHR 4795/4885ALOX15 3747/4885ATM 3687/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 TSHR 4795/4885ALOX15 3664/4885ATM 3135/4885

“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.