SCHEMBL6799982

SCHEMBL6799982

Cc1cccc2c1NC(=O)C(N(C=O)C1(CNC[C@H](O)c3ccccc3)CCCC1)N=C2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
NOTCH1 P46531 10/20 0.40
RBPJ Q06330 4/20 0.40
NOTCH3 Q9UM47 6/20 0.39
PSEN1 P49768 7/20 0.36
PSEN2 P49810 7/20 0.36
APH1B Q8WW43 7/20 0.36
NCSTN Q92542 7/20 0.36
APH1A Q96BI3 7/20 0.36
PSENEN Q9NZ42 7/20 0.36
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL6798648 0.83 PSEN1 (0.51) KMT2ANOTCH1NOTCH3PSEN1PSEN2
SCHEMBL6801316 0.83 PSEN1 (0.51) KMT2ANOTCH1NOTCH3PSEN1PSEN2
SCHEMBL6986032 0.80 NOTCH1 (0.39) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL6955893 0.77 PSEN1 (0.47) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL6805380 0.73 PSEN1 (0.49) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL6955221 0.67 NOTCH1 (0.49) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL6950859 0.63 NOTCH1 (0.46) NOTCH1RBPJNOTCH3PSEN1PSEN2
SCHEMBL16777947 0.62 NOTCH1 (0.49) KMT2ANOTCH1RBPJNOTCH3CCKAR
SCHEMBL3600092 0.61 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3593240 0.61 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A

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 2 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 disclosed
US-20020061874-A1 Substituted cycloalkyls as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-23 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 (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 KMT2A 4356/4885NOTCH1 666/4885RBPJ 3959/4885

“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.