SCHEMBL4547485

SCHEMBL4547485

CCCN(C(=O)OC(C)(C)C)[C@@H](CC(=O)OC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.31
REN P00797 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
SCHEMBL5837182 0.89 CA14 (0.38) CA14CA12CA1CA2MEN1
SCHEMBL934416 0.89 CA14 (0.38) CA14CA12CA1CA2MEN1
SCHEMBL23854196 0.89 CA14 (0.38) CA14CA12CA1CA2MEN1
SCHEMBL14899129 0.83 CA14 (0.37) CA14CA12CA1CA2CA7
SCHEMBL25974685 0.81 CA14 (0.40) CA14CA12CA1CA2CA7
SCHEMBL1927817 0.81 CA14 (0.36) CA14CA12CA1CA7MEN1
SCHEMBL13345432 0.81 MAPT (0.33) CA14CA12CA1CA2MEN1
SCHEMBL13598307 0.80 REN (0.40) CA14CA12CA1CA2MEN1
SCHEMBL18248185 0.80 REN (0.40) CA14CA12CA1CA2MEN1
SCHEMBL3899118 0.80 REN (0.40) CA14CA12CA1CA2MEN1

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-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 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-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION SLC1A1, SLC6A3, SLC1A2 CA14 3870/4885CA12 3610/4885CA1 2189/4885

“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.