SCHEMBL8159451

SCHEMBL8159451

COC(=O)C(C)(C)[C@@H]1CCNC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2C P28335 2/20 0.37
P2RY14 Q15391 1/20 0.36
HDAC11 Q96DB2 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL3497969 1.00 MAPK1 (0.42) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL3499933 1.00 MAPK1 (0.42) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL3499166 1.00 MAPK1 (0.42) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL581068 0.79 TDP1 (0.44) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL4505964 0.79 TDP1 (0.44) MAPK1KDM4EALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL4504270 0.78 TDP1 (0.44) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL8209905 0.76 KDM4E (0.42) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL1039190 0.76 KDM4E (0.42) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL9965883 0.76 KDM4E (0.42) MAPK1KDM4EALDH1A1POLBGAA
SCHEMBL27853017 0.74 KDM4E (0.39) MAPK1KDM4EALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK1 1936/4885KDM4E 2685/4885ALDH1A1 804/4885

“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.