SCHEMBL1660415

SCHEMBL1660415

COC(=O)CCc1ccccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.59
NAMPT P43490 1/20 0.50
HTR6 P50406 1/20 0.49
GRM1 Q13255 6/20 0.48
GRM5 P41594 6/20 0.48
EED O75530 3/20 0.45
RBBP4 Q09028 3/20 0.45
SUZ12 Q15022 3/20 0.45
EZH2 Q15910 3/20 0.45
JAK1 P23458 1/20 0.44
PDE10A Q9Y233 1/20 0.44
CNR1 P21554 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
SCN9A Q15858 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
SCHEMBL12712665 0.89 PDK4 (0.64) PDK4NAMPTHTR6GRM1GRM5
SCHEMBL28352494 0.86 MEN1 (0.43) PDK4NAMPT
SCHEMBL7939639 0.82 PDK4 (0.62) PDK4NAMPTHTR6GRM1GRM5
SCHEMBL14537120 0.80 PDK4 (0.59) PDK4NAMPTHTR6GRM1GRM5
SCHEMBL8075949 0.79 PDK4 (0.64) PDK4NAMPTHTR6GRM1GRM5
SCHEMBL30736543 0.79 PDK4 (0.64) PDK4NAMPTHTR6GRM1GRM5
SCHEMBL4859866 0.79 PDK4 (0.67) PDK4NAMPTHTR6GRM1GRM5
SCHEMBL29580432 0.79 PDK4 (0.67) PDK4NAMPTHTR6GRM1GRM5
SCHEMBL12712612 0.79 PDK4 (0.69) PDK4NAMPTHTR6GRM1GRM5
SCHEMBL3436385 0.79 PDK4 (0.69) PDK4NAMPTHTR6GRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488028-B1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2020-08-19 EP disclosed
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
EP-2488028-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF Merck Sharp & Dohme Corp. (US) 2012-08-22 EP 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
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 PDK4 1350/4885NAMPT 3225/4885HTR6 3659/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 PDK4 1189/4885NAMPT 3078/4885HTR6 3572/4885

“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.