SCHEMBL3027747

SCHEMBL3027747

COc1ccc(N2CCN(c3nc(O)cc(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.83
PSEN2 P49810 4/20 0.83
APH1B Q8WW43 4/20 0.83
NCSTN Q92542 4/20 0.83
APH1A Q96BI3 4/20 0.83
PSENEN Q9NZ42 4/20 0.83
MAPK1 P28482 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GALR2 O43603 4/20 0.37
PIK3CA P42336 1/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRAF P15056 4/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GALR1 P47211 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 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
SCHEMBL3019415 0.91 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3032808 0.91 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3030062 0.90 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3018796 0.89 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3018791 0.89 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027057 0.89 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8148492 0.88 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3022701 0.88 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023455 0.88 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023238 0.88 PSEN1 (0.84) 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.