SCHEMBL8245408

SCHEMBL8245408

CC(C)Cc1ccc(N2C(C)CCC2C)nc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.44
▸ ABL1 P00519 1/20 0.35
▸ PANK3 Q9H999 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.33
▸ MYC P01106 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL8435280 0.82 CNR2 (0.47) CNR2CNR1ALDH1A1HRH3MYC
SCHEMBL14367676 0.74 AOC3 (0.47) CNR2PANK3ALDH1A1HRH3MEN1
SCHEMBL8252773 0.73 AOC3 (0.48) CNR2PANK3CNR1ALDH1A1MEN1
SCHEMBL20797611 0.71 KCNJ1 (0.46) CNR2CNR1ALDH1A1MYCMEN1
SCHEMBL20797535 0.71 KCNJ1 (0.46) CNR2CNR1ALDH1A1MYCMEN1
SCHEMBL20797345 0.71 KCNJ1 (0.46) CNR2CNR1ALDH1A1MYCMEN1
SCHEMBL20810916 0.71 KCNJ1 (0.46) CNR2CNR1ALDH1A1MYCMEN1
SCHEMBL8245080 0.71 CYP11B1 (0.56) CNR2PANK3ALDH1A1MEN1KMT2A
SCHEMBL345439 0.71 ENPP2 (0.45) ABL1PANK3HRH3MEN1KMT2A
SCHEMBL17229276 0.71 PARP1 (0.54) CNR2PANK3HRH3

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 3 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-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 CNR2 3169/4885ABL1 3874/4885PANK3 4509/4885

“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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