SCHEMBL3480980

SCHEMBL3480980

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CXCR2 P25025 1/20 0.31
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 1/20 0.30
CDK6 Q00534 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL3480711 0.88 PSEN1 (0.34) LMNATSHRHSD17B10
SCHEMBL3480722 0.87 LMNA (0.34) LMNATSHR
SCHEMBL3480710 0.87 LMNA (0.32) LMNATSHRHSD17B10
SCHEMBL3480880 0.86 EGFR (0.39) CDK2
SCHEMBL8167298 0.86 LMNA (0.34) LMNATSHRHSD17B10CDK2
SCHEMBL3480691 0.80 ALK (0.37)
SCHEMBL3480705 0.80 BCL6 (0.35)
SCHEMBL3480686 0.77 EGFR (0.41) CDK2
SCHEMBL3480868 0.75 EGFR (0.39) CDK2
SCHEMBL3480728 0.75 EGFR (0.42)

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 7 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-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
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 4345/4885HSD17B10 2542/4885

“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.