SCHEMBL6799028

SCHEMBL6799028

CC(C)[C@H](O)C(=O)NCC1(C(=O)NC2N=Cc3ccccc3N(CC3CCCC3)C2=O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.36
PSEN2 P49810 8/20 0.36
APH1B Q8WW43 8/20 0.36
NCSTN Q92542 8/20 0.36
APH1A Q96BI3 8/20 0.36
PSENEN Q9NZ42 8/20 0.36
OPRL1 P41146 4/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
CCKBR P32239 1/20 0.32
SCN9A Q15858 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 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
SCHEMBL3581236 0.77 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6799024 0.74 CCKBR (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6792780 0.60 CYP2C19 (0.39)
SCHEMBL6792777 0.60 CYP2C19 (0.39)
SCHEMBL4993119 0.59 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4987907 0.59 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4414659 0.59 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4413310 0.59 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4991055 0.58 OPRL1 (0.43) OPRL1OPRM1OPRK1SCN9ATRPA1
SCHEMBL6798996 0.58 CYP4F2 (0.43)

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
US-6713476-B2 SUBSTITUTED LACTAM; GAMMA-SECRETASE INHIBITOR; DECREASES PRODUCTION OF BETA-AMYLOID; TREATMENT FOR ALTZHEIMER'S AND DOWN'S SYNDROME DUPONT PHARMACEUTICALS COMPANY 2004-03-30 US claimed
EP-1268434-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP claimed
US-20020061874-A1 Substituted cycloalkyls as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-23 US claimed
WO-2001074784-A1 CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO claimed
US-6713476-B2 SUBSTITUTED LACTAM; GAMMA-SECRETASE INHIBITOR; DECREASES PRODUCTION OF BETA-AMYLOID; TREATMENT FOR ALTZHEIMER'S AND DOWN'S SYNDROME DUPONT PHARMACEUTICALS COMPANY 2004-03-30 US disclosed
EP-1268434-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
US-20020061874-A1 Substituted cycloalkyls as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-23 US disclosed
WO-2001074784-A1 CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 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-20020061874-A1 Substituted cycloalkyls as inhibitors of a beta protein production APP, BACE1, APH1A PSEN1 6/4885PSEN2 8/4885APH1B 4/4885

“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.