SCHEMBL8269341

SCHEMBL8269341

CC(=O)C(CCCCN)NC(=O)Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.46
▸ ITGA2B P08514 3/20 0.46
▸ CNR2 P34972 3/20 0.45
▸ CHRNA1 P02708 3/20 0.44
▸ CHRNG P07510 3/20 0.44
▸ CHRNB1 P11230 3/20 0.44
▸ CHRND Q07001 3/20 0.44
▸ NMT2 O60551 4/20 0.42
▸ NMT1 P30419 4/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ GRIA1 P42261 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ HPGDS O60760 1/20 0.39

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
SCHEMBL22129699 0.76 ITGB3 (0.64) ITGB3ITGA2BCNR2CHRNA1CHRNG
SCHEMBL22129697 0.76 ITGB3 (0.64) ITGB3ITGA2BCNR2CHRNA1CHRNG
SCHEMBL13271590 0.76 SIRT6 (0.44) NMT2NMT1CA1CA2HPGDS
SCHEMBL20637849 0.76 ITGB3 (0.54) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL9203094 0.75 CHRND (0.54) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL9277061 0.75 HTT (0.54) ITGB3ITGA2BCNR2CA1CA2
SCHEMBL13512634 0.75 SIRT6 (0.47) NMT2NMT1GRIA1HPGDS
SCHEMBL13176786 0.75 SLC6A5 (0.49) NMT2NMT1HPGDS
SCHEMBL8269335 0.74 HPGDS (0.56) ITGB3ITGA2BCA1CA2LNPEP
SCHEMBL9203772 0.73 ITGB3 (0.54) ITGB3ITGA2BCNR2CHRNA1CHRNG

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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 — — 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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 ITGB3 422/4885ITGA2B 1361/4885CNR2 1928/4885

“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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