SCHEMBL8424734

SCHEMBL8424734

CCNC(=O)C[C@H](CCC1CC1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.31
METAP2 P50579 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL8426469 0.94 ALDH1A1 (0.37) ALDH1A1MAPK1METAP2
SCHEMBL8424725 0.80 CA1 (0.42) ALDH1A1MAPK1TDP1CA1CA2
SCHEMBL4912359 0.78 TDP1 (0.46) ALDH1A1TDP1CA1CA2
SCHEMBL8426506 0.77 CA2 (0.58) MAPK1CA1CA2
SCHEMBL7376546 0.76 CA2 (0.49) MAPK1TDP1CA1CA2
SCHEMBL8427664 0.74 ACACB (0.33) ALDH1A1MAPK1TDP1CYP2C9CYP1A2
SCHEMBL14348564 0.74 ACACB (0.33) ALDH1A1MAPK1TDP1CYP2C9CYP1A2
SCHEMBL8426505 0.73 ALDH1A1 (0.34) ALDH1A1CA1CA2MCL1
SCHEMBL7370650 0.73 TDP1 (0.40) TDP1CYP2D6CA1CA2
SCHEMBL7371375 0.73 TSHR (0.41) TDP1CYP2D6CA1CA2

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-7456172-B2 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-25 US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 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-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE ALDH1A1 1335/4885MAPK1 2198/4885TDP1 2425/4885

“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.