SCHEMBL513197

SCHEMBL513197

CNc1nc(Cl)nc2c1CCC2c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.33
CHRNA7 P36544 4/20 0.32
UGT1A1 P22309 2/20 0.32
KCNH2 Q12809 2/20 0.32
SLCO1B1 Q9Y6L6 2/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
PDE2A O00408 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
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TPH1 P17752 2/20 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
SCHEMBL513572 0.86 GRM2 (0.35) GRM2CHRNA7KCNH2DRD2DRD1
SCHEMBL15685520 0.86 UGT1A1 (0.33) UGT1A1KCNH2SLCO1B1CYP3A4PSEN1
SCHEMBL512229 0.84 CYP11B1 (0.36) PDE2A
SCHEMBL512636 0.84 UGT1A1 (0.37) CHRNA7UGT1A1KCNH2SLCO1B1CYP3A4
SCHEMBL512039 0.84 CYP3A4 (0.36) UGT1A1KCNH2SLCO1B1CYP3A4PSEN1
SCHEMBL512966 0.84 UGT1A1 (0.33) UGT1A1KCNH2SLCO1B1CYP3A4PSEN1
SCHEMBL15445110 0.80 UGT1A1 (0.31) UGT1A1KCNH2SLCO1B1CYP3A4PSEN1
SCHEMBL513429 0.79 UGT1A1 (0.35) UGT1A1KCNH2SLCO1B1CYP3A4PSEN1
SCHEMBL513118 0.76 GRM2 (0.33) GRM2PDE2ATRPV1
SCHEMBL12501688 0.76 PSEN1 (0.47) CHRNA7UGT1A1KCNH2SLCO1B1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2668168-A1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-12-04 EP disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 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 (2 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-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP GRM2 1585/4885CHRNA7 392/4885UGT1A1 3409/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP GRM2 1585/4885CHRNA7 392/4885UGT1A1 3409/4885

“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.