SCHEMBL10279844

SCHEMBL10279844

N#Cc1ccc(N)cc1OCC(O)CCNc1nc(Cl)nc2c1CCC2c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.33
CYP2D6 P10635 3/20 0.33
ADRB1 P08588 3/20 0.32
KCNH2 Q12809 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CYP3A4 P08684 2/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
UGT1A1 P22309 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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
SCHEMBL10352906 0.87 CYP3A4 (0.31) CYP2D6KCNH2CYP3A4PSEN1PSEN2
SCHEMBL363490 0.85 CYP3A4 (0.32) CYP2D6KCNH2CYP3A4PSEN1PSEN2
SCHEMBL370154 0.83 PSEN1 (0.49) CYP2D6KCNH2CYP3A4PSEN1PSEN2
SCHEMBL363539 0.83 CYP3A4 (0.33) CYP2D6KCNH2CYP3A4PSEN1PSEN2
SCHEMBL360429 0.79 ACHE (0.37) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL15450622 0.78 GPR6 (0.30)
SCHEMBL10279542 0.76 SLC6A4 (0.34) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL10356162 0.75 CYP3A4 (0.31) CYP2D6KCNH2CYP3A4PSEN1PSEN2
SCHEMBL360333 0.73 MEN1 (0.33) CYP2D6KCNH2CYP3A4PSEN1PSEN2
SCHEMBL10279390 0.73 STK17B (0.34) CYP2D6KCNH2CYP3A4PSEN1PSEN2

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 7 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
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 CASR 3065/4885CYP2D6 2378/4885ADRB1 126/4885

“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.