SCHEMBL8152875

SCHEMBL8152875

COC(=O)C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N[C@H]2CCCC[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PAX8 Q06710 4/20 0.38
ENPP3 O14638 4/20 0.36
ENPP1 P22413 3/20 0.36
ENPP2 Q13822 3/20 0.36
RXFP1 Q9HBX9 1/20 0.35
F2R P25116 1/20 0.35
KHK P50053 1/20 0.35

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
SCHEMBL8160590 1.00 KDM4E (0.39) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL3496996 0.87 PAX8 (0.39) PAX8RXFP1F2R
SCHEMBL8267837 0.72 S1PR4 (0.44) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL13405602 0.72 MAPK1 (0.36) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1709470 0.72 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL4549803 0.72 TACR1 (0.41) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL8209905 0.72 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1039190 0.72 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL9965883 0.72 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1709471 0.71 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 US disclosed
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 US disclosed
EP-2120584-B1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2012-06-20 EP disclosed
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
WO-2008085301-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK & CO., INC. (US) 2008-07-17 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 (1 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-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES PSEN1, PSEN2, SRM KDM4E 2685/4885ALDH1A1 804/4885POLB 1646/4885

“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.