SCHEMBL11919569

SCHEMBL11919569

CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(F)c2O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.41
▸ JAK2 O60674 5/20 0.40
▸ JAK1 P23458 5/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ESR2 Q92731 1/20 0.37

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
SCHEMBL12877871 0.91 PDK2 (0.44) GPR119JAK2JAK1PDK2TSHR
SCHEMBL25388886 0.90 GPR119 (0.43) GPR119JAK2JAK1PDK2RORC
SCHEMBL23660731 0.87 GPR119 (0.44) GPR119JAK2JAK1RORCTSHR
SCHEMBL1195085 0.82 CYP3A4 (0.48) GPR119JAK2JAK1ESR2
SCHEMBL29995192 0.82 GPR119 (0.44) GPR119JAK2JAK1RORCHDAC1
SCHEMBL7527349 0.82 GPR119 (0.44) GPR119JAK2JAK1RORCHDAC1
SCHEMBL7710592 0.81 ADRA1D (0.46) GPR119JAK2JAK1PDK2TSHR
SCHEMBL1660374 0.81 TACR1 (0.42) GPR119JAK2JAK1RORCTACR1
SCHEMBL1659401 0.81 HDAC2 (0.43) GPR119JAK2JAK1RORCHDAC1
SCHEMBL3324676 0.81 STS (0.45) GPR119JAK2JAK1PDK2TSHR

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 5 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

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 GPR119 4605/4885JAK2 3297/4885JAK1 4433/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 GPR119 4507/4885JAK2 2777/4885JAK1 4548/4885

“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.

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