SCHEMBL4104498

SCHEMBL4104498

C#CCN1C(=O)[C@@H](N[C@@H](C)C(=O)NC(=O)Cc2cc(F)cc(F)c2)[C@@H](c2ccccc2)Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.41
PSEN2 P49810 15/20 0.41
APH1B Q8WW43 15/20 0.41
NCSTN Q92542 15/20 0.41
APH1A Q96BI3 15/20 0.41
PSENEN Q9NZ42 15/20 0.41
GSAP A4D1B5 1/20 0.38
XIAP P98170 2/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3347140 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3344042 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5640748 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3345065 0.77 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5641356 0.76 DRD2 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3344048 0.76 DRD2 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3551635 0.76 DRD2 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3344967 0.74 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3349430 0.74 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4843314 0.72 PSEN1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 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-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 PSEN1 157/4885PSEN2 194/4885APH1B 73/4885

“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.