SCHEMBL4405469

SCHEMBL4405469

[2H]C([2H])([2H])C1(C([2H])([2H])[2H])[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.40
TACR1 P25103 6/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H3 Q13133 2/20 0.33
SRC P12931 4/20 0.32

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
SCHEMBL12691441 0.96 NR1H2 (0.40) NR1H2TACR1MEN1KMT2ANR1H3
SCHEMBL9908998 0.90 NR1H2 (0.43) NR1H2TACR1MEN1KMT2A
SCHEMBL8360404 0.90 NR1H2 (0.43) NR1H2TACR1MEN1KMT2A
SCHEMBL12691702 0.86 NR1H2 (0.33) NR1H2TACR1MEN1KMT2ANR1H3
SCHEMBL24909178 0.80 NR1H2 (0.42) NR1H2TACR1MEN1KMT2A
SCHEMBL30484632 0.80 NR1H2 (0.42) NR1H2TACR1MEN1KMT2A
SCHEMBL30484634 0.80 NR1H2 (0.42) NR1H2TACR1MEN1KMT2A
SCHEMBL30484732 0.78 NR1H2 (0.43) NR1H2TACR1MEN1KMT2A
SCHEMBL30484743 0.75 NR1H2 (0.41) NR1H2TACR1MEN1KMT2A
SCHEMBL25333558 0.74 NR1H2 (0.46) NR1H2TACR1MEN1KMT2A

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-20090175824-A1 Peptides for the treatment of HCV infections CONCERT PHARMACEUTICALS, INC. 2009-07-09 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-20090175824-A1 Peptides for the treatment of HCV infections DPP4, ZC3HAV1, CTSC NR1H2 2333/4885TACR1 530/4885MEN1 3955/4885

“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.