SCHEMBL1241618

SCHEMBL1241618

O=C(O)C1(Oc2ccc(C(F)(F)F)cc2)CCCN(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.55
MDM2 Q00987 7/20 0.55
CYP3A4 P08684 5/20 0.52
USP2 O75604 2/20 0.52
HRH3 Q9Y5N1 1/20 0.50
CYP2D6 P10635 5/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MGLL Q99685 1/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46

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
SCHEMBL8128074 0.89 CYP2D6 (0.60) CYP3A4USP2HRH3CYP2D6TSHR
SCHEMBL8141053 0.88 TP53 (0.51) TP53MDM2CYP3A4USP2HRH3
SCHEMBL4072580 0.86 CYP2D6 (0.53) CYP3A4USP2HRH3CYP2D6TSHR
SCHEMBL4072585 0.86 CYP2D6 (0.53) TP53MDM2CYP3A4USP2HRH3
SCHEMBL4077814 0.85 CYP2D6 (0.53) CYP3A4HRH3CYP2D6TSHRALDH1A1
SCHEMBL4069184 0.85 CYP2D6 (0.61) CYP3A4HRH3CYP2D6TSHRALDH1A1
SCHEMBL8402545 0.81 TP53 (0.61) TP53MDM2CYP3A4USP2CYP2D6
SCHEMBL4070218 0.79 CYP2D6 (0.53) CYP3A4USP2HRH3CYP2D6TSHR
SCHEMBL3443283 0.77 HRH3 (0.51) CYP3A4USP2HRH3CYP2D6TSHR
SCHEMBL8402563 0.77 SIGMAR1 (0.51) SIGMAR1

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 21 patents — showing the first 20. 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
CN-104945382-A Substituted piperidines that increase p53 activity and uses thereof SCHERING CORP 2015-09-30 CN disclosed
CN-102638981-B Substituted piperidines that increase p53 activity and uses thereof SCHERING CORP 2015-07-22 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-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
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 WO disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
EP-2037919-A2 METHOD OF USING SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY SCHERING CORPORATION (US) 2009-03-25 EP disclosed
EP-2035416-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2009-03-18 EP disclosed
WO-2008005268-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2008-01-10 WO disclosed
WO-2008005268-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2008-01-10 WO disclosed
WO-2008005266-A2 METHOD OF USING SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY SCHERING CORPORATION (US) 2008-01-10 WO disclosed
US-20080004286-A1 Method of Using Substituted Piperidines that Increase P53 Activity SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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 (4 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-20080004286-A1 Method of Using Substituted Piperidines that Increase P53 Activity TP53, MDM2, TP53BP1 TP53 1/4885MDM2 2/4885CYP3A4 3524/4885
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 TP53 1/4885MDM2 2/4885CYP3A4 3957/4885
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 TP53 1/4885MDM2 3/4885CYP3A4 2459/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 TP53 1/4885MDM2 2/4885CYP3A4 2951/4885

“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.