SCHEMBL6709616

SCHEMBL6709616

COC(=O)[C@H](C)CNNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
APLNR P35414 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CYP2D6 P10635 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 4/20 0.35
CTSS P25774 1/20 0.35
SYK P43405 1/20 0.35
SERPINE1 P05121 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
DGAT1 O75907 1/20 0.33

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
SCHEMBL29689259 0.86 CA12 (0.46) CA12CA14CA2CA1CA7
SCHEMBL85950 0.86 CA12 (0.46) CA12CA14CA2CA1CA7
SCHEMBL1262051 0.86 CA12 (0.46) CA12CA14CA2CA1CA7
SCHEMBL1262055 0.86 CA12 (0.46) CA12CA14CA2CA1CA7
SCHEMBL18756255 0.83 APLNR (0.41) CA12CA14APLNRCA2CA1
SCHEMBL2671597 0.82 APLNR (0.46) CA12CA14APLNRCA2CA1
SCHEMBL5325084 0.81 APLNR (0.42) CA12CA14APLNRCA2CA1
SCHEMBL6709591 0.80 CA1 (0.46) CA12CA14APLNRCA2CA1
SCHEMBL23518432 0.79 CA12 (0.41) CA12CA14APLNRCA2CA1
SCHEMBL8356011 0.77 APLNR (0.42) CA12CA14APLNRCA2CA1

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-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives AVENTIS PHARMACEUTICALS INC. (US) 2004-04-08 US disclosed
US-6277865-B1 ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-08-21 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-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives TFPI, F2, SERPINC1 CA12 3329/4885CA14 3519/4885APLNR 253/4885

“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.