SCHEMBL1617508

SCHEMBL1617508

COc1cc(Nc2ncc3c(n2)C(c2ccc(F)cc2)CCC3)ccc1-n1cnc(C)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.66
PSEN2 P49810 19/20 0.66
APH1B Q8WW43 19/20 0.66
NCSTN Q92542 19/20 0.66
APH1A Q96BI3 19/20 0.66
PSENEN Q9NZ42 19/20 0.66
CYP3A4 P08684 2/20 0.51
UGT1A1 P22309 2/20 0.51
KCNH2 Q12809 2/20 0.51
SLCO1B1 Q9Y6L6 2/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL1616434 0.92 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616929 0.92 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL512117 0.91 UGT1A1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616845 0.91 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616726 0.90 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616877 0.89 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617546 0.86 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616179 0.85 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617371 0.85 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617265 0.85 PSEN1 (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 PSEN1 2/4885PSEN2 6/4885APH1B 8/4885

“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.