SCHEMBL3029376

SCHEMBL3029376

COc1ccc(N2CCN(c3ncc(Cl)c(Nc4cc(C(F)(F)F)ccc4C)n3)CC2(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.60
PSEN2 P49810 4/20 0.60
APH1B Q8WW43 4/20 0.60
NCSTN Q92542 4/20 0.60
APH1A Q96BI3 4/20 0.60
PSENEN Q9NZ42 4/20 0.60
BRAF P15056 9/20 0.43
CTSC P53634 3/20 0.39
CCNK O75909 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CYP1A2 P05177 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
SCHEMBL3018979 0.93 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027028 0.86 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3019623 0.85 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3030559 0.81 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3033420 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027898 0.80 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3031288 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023918 0.80 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3028168 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3025828 0.79 PSEN1 (0.52) 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.