SCHEMBL4823133

SCHEMBL4823133

CN(CCN(C)c1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.34
NTRK3 Q16288 2/20 0.34
NTRK2 Q16620 2/20 0.34
PSEN1 P49768 5/20 0.32
PSEN2 P49810 5/20 0.32
APH1B Q8WW43 5/20 0.32
NCSTN Q92542 5/20 0.32
APH1A Q96BI3 5/20 0.32
PSENEN Q9NZ42 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IKBKB O14920 1/20 0.32
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CTSA P10619 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
RAB9A P51151 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL1632957 0.88 HTR2C (0.35) NTRK1NTRK3NTRK2PSEN1PSEN2
SCHEMBL1632142 0.88 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4813737 0.81 PSEN1 (0.44) NTRK1NTRK3NTRK2PSEN1PSEN2
SCHEMBL1633911 0.81 STK17B (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632899 0.78 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632943 0.77 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632916 0.75 KCNQ3 (0.33) MEN1KMT2AMDM2
SCHEMBL1632373 0.75 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632176 0.74 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1630928 0.73 PSEN1 (0.35) 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-7399775-B2 β-amyloid protein production/secretion inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-07-15 US disclosed
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20050234109-A1 to treat Alzheimer's disease,Down syndrome and the other diseases associated with amyloid deposition; thiomethane, sulfinylmethane or sulfonylmethane compounds; 5-Chloro-4-[(4-chlorophenylsulfonyl)-(2,5-difluorophenyl)methyl]-2-(4'-hydroxypiperidin-1'-yl)pyridine DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2005-10-20 US disclosed
EP-1466898-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-10-13 EP 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 (2 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-20050234109-A1 to treat Alzheimer's disease,Down syndrome and the other diseases associated with amyloid deposition; thiomethane, sulfinylmethane or sulfonylmethane compounds; 5-Chloro-4-[(4-chlorophenylsulfonyl)-(2,5-difluorophenyl)methyl]-2-(4'-hydroxypiperidin-1'-yl)pyridine APP, PSEN1, PSEN2 NTRK1 3500/4885NTRK3 3760/4885NTRK2 1189/4885
US-20070293495-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS APP, IAPP, BACE1 NTRK1 4596/4885NTRK3 4180/4885NTRK2 3090/4885

“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.