SCHEMBL1659401

SCHEMBL1659401

CC(C)(C)OC(=O)N1CCC(C#N)(c2cc(F)ccc2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 1/20 0.43
JAK2 O60674 10/20 0.42
JAK1 P23458 10/20 0.42
GPR119 Q8TDV5 3/20 0.41
MC4R P32245 1/20 0.41
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 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
SCHEMBL2468693 0.91 GPR119 (0.43) HDAC2HDAC1JAK2JAK1GPR119
SCHEMBL29995192 0.90 GPR119 (0.44) HDAC2HDAC1JAK2JAK1GPR119
SCHEMBL7527349 0.90 GPR119 (0.44) HDAC2HDAC1JAK2JAK1GPR119
SCHEMBL6912571 0.89 GPR119 (0.42) HDAC2HDAC1JAK2JAK1GPR119
SCHEMBL3925930 0.83 RORC (0.48) HDAC2HDAC1JAK2JAK1RORC
SCHEMBL12877871 0.82 PDK2 (0.44) HDAC1JAK2JAK1GPR119
SCHEMBL11919555 0.82 GPR119 (0.44) HDAC2HDAC1JAK2JAK1GPR119
SCHEMBL29529542 0.82 GPR119 (0.45) HDAC2HDAC1JAK2JAK1GPR119
SCHEMBL2701636 0.82 GPR119 (0.45) HDAC2HDAC1JAK2JAK1GPR119
SCHEMBL2779561 0.82 GPR119 (0.43) HDAC2HDAC1JAK2JAK1GPR119

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 12 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
CN-104945382-B Substituted piperidines that increase p53 activity and uses thereof 默沙东公司 2020-02-07 CN 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-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-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

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 HDAC2 191/4885HDAC1 71/4885JAK2 3297/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 HDAC2 203/4885HDAC1 90/4885JAK2 2777/4885

“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.