SCHEMBL369451

SCHEMBL369451

CN(CCCOc1cc(N)ccc1-n1cnc(Cl)c1)c1nc(Cl)nc2c1CCC2c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 1/20 0.48
KCNH2 Q12809 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
PSEN1 P49768 11/20 0.37
PSEN2 P49810 11/20 0.37
APH1B Q8WW43 11/20 0.37
NCSTN Q92542 11/20 0.37
APH1A Q96BI3 11/20 0.37
PSENEN Q9NZ42 11/20 0.37
GBA1 P04062 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
SCHEMBL10356188 0.91 UGT1A1 (0.48) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL368226 0.88 UGT1A1 (0.46) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL368711 0.86 UGT1A1 (0.35) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL361161 0.86 PSEN1 (0.39) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL369277 0.84 UGT1A1 (0.52) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL362725 0.83 PSEN1 (0.36) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL10352854 0.82 GBA1 (0.32) UGT1A1KCNH2SLCO1B1GBA1
SCHEMBL368500 0.81 UGT1A1 (0.51) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL10279805 0.80 UGT1A1 (0.38) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL369067 0.79 PSEN1 (0.48) UGT1A1KCNH2SLCO1B1PSEN1PSEN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 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 (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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP UGT1A1 2634/4885KCNH2 4384/4885SLCO1B1 2215/4885

“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.