SCHEMBL7065713

SCHEMBL7065713

CCCC(C(N)=O)C(CC(C)C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
AKR1C3 P42330 1/20 0.46
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
APP P05067 1/20 0.44
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1B Q00975 1/20 0.42
CYP3A4 P08684 4/20 0.41
CCR1 P32246 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A9 P48067 1/20 0.41
MC4R P32245 2/20 0.40

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
SCHEMBL7065717 1.00 CA12 (0.48) CA12CA2CA9AKR1C3ME2
SCHEMBL7068688 0.89 ALDH1A1 (0.46) CA12CA2CA9AKR1C3MEN1
SCHEMBL7068690 0.89 ALDH1A1 (0.46) CA12CA2CA9AKR1C3MEN1
SCHEMBL7071263 0.89 POLB (0.51) MEN1HTTKMT2ACYP3A4
SCHEMBL7067044 0.89 POLB (0.51) MEN1HTTKMT2ACYP3A4
SCHEMBL7069863 0.88 POLB (0.45) AKR1C3HTT
SCHEMBL7069866 0.88 POLB (0.45) AKR1C3HTT
SCHEMBL7065445 0.87 ITGB3 (0.40) AKR1C3
SCHEMBL7068679 0.87 CHIA (0.48) AKR1C3ME2ME1ME3MEN1
SCHEMBL7068676 0.87 CHIA (0.48) AKR1C3ME2ME1ME3MEN1

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-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production THOMPSON LORIN A (US) 2003-12-18 US disclosed
US-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 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 (2 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-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A CA12 4206/4885CA2 2594/4885CA9 3951/4885
US-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A CA12 4206/4885CA2 2594/4885CA9 3951/4885

“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.