SCHEMBL3023377

SCHEMBL3023377

COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCC4CCCN4C)n3)CC2(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.72
PSEN2 P49810 6/20 0.72
APH1B Q8WW43 6/20 0.72
NCSTN Q92542 6/20 0.72
APH1A Q96BI3 6/20 0.72
PSENEN Q9NZ42 6/20 0.72
CHRNB4 P30926 5/20 0.38
CHRNA3 P32297 5/20 0.38
CHRNB2 P17787 5/20 0.38
CHRNB1 P11230 4/20 0.38
CHRNB3 Q05901 4/20 0.38
LCK P06239 1/20 0.37
BRAF P15056 5/20 0.35
CHRNA4 P43681 3/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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 0.86 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3030544 0.85 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3031295 0.85 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3029467 0.84 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3029333 0.83 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023179 0.83 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027747 0.81 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3032808 0.81 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8148492 0.80 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3030062 0.80 PSEN1 (1.00) 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 3 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

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.