SCHEMBL8167298

SCHEMBL8167298

CCOc1cc(C)c(Nc2cc(C(=O)OC)nc(N3CCC(n4ccnc4)CC3)n2)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
TSHR P16473 1/20 0.34
RBP4 P02753 1/20 0.33
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
FPR2 P25090 2/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CD38 P28907 1/20 0.31
SCN9A Q15858 1/20 0.30
GRM5 P41594 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL3480722 0.93 LMNA (0.34) LMNATSHRRBP4KDM4EALDH1A1
SCHEMBL3480711 0.87 PSEN1 (0.34) LMNATSHRHSD17B10IRAK4
SCHEMBL3480980 0.86 LMNA (0.32) LMNATSHRHSD17B10CDK2
SCHEMBL3480710 0.85 LMNA (0.32) LMNATSHRHSD17B10
SCHEMBL3480880 0.85 EGFR (0.39) CCNE1CDK2
SCHEMBL3480705 0.79 BCL6 (0.35) IRAK4ATR
SCHEMBL3480691 0.79 ALK (0.37)
SCHEMBL3480686 0.76 EGFR (0.41) CCNE1CDK2
SCHEMBL3480868 0.74 EGFR (0.39) CCNE1CDK2
SCHEMBL3480845 0.74 EGFR (0.42) IRAK4

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-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
WO-2008100412-A1 PIPERIDINE DERIVATIVES MERCK & CO., INC. (US) 2008-08-21 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 (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-20100041680-A1 PIPERIDINE DERIVATIVES PSEN1, PSEN2, APBA1 LMNA 3680/4885TSHR 4345/4885RBP4 4035/4885

“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.