SCHEMBL3018904

SCHEMBL3018904

COc1ccc(N2CCN(c3nccc(Nc4cc(C)ccc4C)n3)CC2(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.61
PSEN2 P49810 4/20 0.61
APH1B Q8WW43 4/20 0.61
NCSTN Q92542 4/20 0.61
APH1A Q96BI3 4/20 0.61
PSENEN Q9NZ42 4/20 0.61
LCK P06239 1/20 0.46
GALR2 O43603 4/20 0.45
CCNE1 P24864 6/20 0.45
CDK2 P24941 6/20 0.45
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GALR1 P47211 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3011624 0.94 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3018848 0.89 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023188 0.89 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3028194 0.89 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3029969 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027096 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3025205 0.87 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3031146 0.87 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3011605 0.87 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3029840 0.86 PSEN1 (0.54) 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.