SCHEMBL3019502

SCHEMBL3019502

CCOc1cc(C)c(Nc2nc(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)ns2)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.45
PSEN2 P49810 4/20 0.45
APH1B Q8WW43 4/20 0.45
NCSTN Q92542 4/20 0.45
APH1A Q96BI3 4/20 0.45
PSENEN Q9NZ42 4/20 0.45
MAPT P10636 10/20 0.35
RECQL P46063 1/20 0.34
MAPK1 P28482 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
NTSR1 P30989 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3029628 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3028168 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3018810 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3032895 0.81 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3028300 0.81 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3029906 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023684 0.80 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2524325 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3032814 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3026510 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
WO-2008099210-A2 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS 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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS PSEN1, PSEN2, APP PSEN1 1/4885PSEN2 2/4885APH1B 13/4885

“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.