SCHEMBL3030544

SCHEMBL3030544

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

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.79
PSEN2 P49810 6/20 0.79
APH1B Q8WW43 6/20 0.79
NCSTN Q92542 6/20 0.79
APH1A Q96BI3 6/20 0.79
PSENEN Q9NZ42 6/20 0.79
LCK P06239 1/20 0.38
GALR2 O43603 5/20 0.35
GALR1 P47211 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
BRAF P15056 1/20 0.33
P2RX7 Q99572 2/20 0.33
MAP3K12 Q12852 1/20 0.32

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
SCHEMBL3031295 0.89 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027057 0.88 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3029467 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023179 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3029333 0.86 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027747 0.86 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023377 0.85 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3032808 0.85 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3030062 0.84 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.