SCHEMBL8251646

SCHEMBL8251646

CCN(CC)CCC(=O)N1CCC(CC(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ GNAI3 P08754 5/20 0.39
▸ GNAO1 P09471 5/20 0.39
▸ GNAI1 P63096 5/20 0.39
▸ BCHE P06276 5/20 0.38
▸ ACHE P22303 5/20 0.38
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL14174877 0.84 NPC1 (0.43) NPC1GNAI3GNAO1GNAI1BCHE
SCHEMBL14174871 0.83 NPC1 (0.62) NPC1GNAI3GNAO1GNAI1BCHE
SCHEMBL14393578 0.82 GNAI3 (0.50) NPC1GNAI3GNAO1GNAI1BCHE
SCHEMBL26375593 0.80 NPC1 (0.49) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL12876362 0.79 EPHX2 (0.46) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL31749431 0.78 GNAI3 (0.58) NPC1GNAI3GNAO1GNAI1BCHE
SCHEMBL8252575 0.76 ALDH1A1 (0.41) NPC1ALDH1A1ITGB3ITGA2B
SCHEMBL12536206 0.76 ALDH1A1 (0.43) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL18232473 0.74 CPN1 (0.47) NPC1GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL25075447 0.74 NPC1 (0.41) NPC1GNAI3GNAO1GNAI1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 — — US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 — — US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 — — US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 — — US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 — — 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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 NPC1 1789/4885GNAI3 3092/4885GNAO1 1373/4885

“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.

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