SCHEMBL1966221

SCHEMBL1966221

COc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc(N2CCCCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.62
PSEN2 P49810 19/20 0.62
APH1B Q8WW43 19/20 0.62
NCSTN Q92542 19/20 0.62
APH1A Q96BI3 19/20 0.62
PSENEN Q9NZ42 19/20 0.62
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL1967006 0.88 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4104679 0.85 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1971691 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1967752 0.85 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4101337 0.84 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4098600 0.84 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1966177 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4097822 0.83 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1966952 0.83 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1967305 0.82 PSEN1 (0.60) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334665-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-07-10 EP claimed
US-8389717-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US claimed
US-20120190682-A1 MODULATORS FOR AMYLOID BETA GOETSCHI ERWIN (CH) 2012-07-26 US claimed
EP-2334665-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US claimed
EP-2334665-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-07-10 EP disclosed
US-20130143883-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-20130143883-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-8389717-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389717-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20120190682-A1 MODULATORS FOR AMYLOID BETA GOETSCHI ERWIN (CH) 2012-07-26 US disclosed
US-20120190682-A1 MODULATORS FOR AMYLOID BETA GOETSCHI ERWIN (CH) 2012-07-26 US disclosed
EP-2334665-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US disclosed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US disclosed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US disclosed
WO-2010040661-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2010-04-15 WO disclosed
WO-2010040661-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2010-04-15 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 (3 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-20130143883-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB PSEN1 5/4885PSEN2 16/4885APH1B 2/4885
US-20120190682-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB PSEN1 5/4885PSEN2 16/4885APH1B 2/4885
US-20100093731-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB PSEN1 5/4885PSEN2 16/4885APH1B 2/4885

“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.