SCHEMBL961772

SCHEMBL961772

C=CCn1nc(Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)nc1C(C)(C)CC=C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
PSEN1 P49768 19/20 0.43
PSEN2 P49810 19/20 0.43
APH1B Q8WW43 19/20 0.43
NCSTN Q92542 19/20 0.43
APH1A Q96BI3 19/20 0.43
PSENEN Q9NZ42 19/20 0.43

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
SCHEMBL962264 0.77 PSEN1 (0.48) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL963648 0.77 UGT1A1 (0.42) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL13285108 0.73 PSEN1 (0.49) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL13284892 0.69 PSEN1 (0.53) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL964701 0.68 PSEN1 (0.53) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL960134 0.68 PSEN1 (0.41) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL12918258 0.67 PSEN1 (0.50) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL13284703 0.67 PSEN1 (0.62) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL13285418 0.66 PSEN1 (0.61) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL29877073 0.66 PSEN1 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 UGT1A1 2925/4885KCNH2 4481/4885SLCO1B1 3365/4885

“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.