SCHEMBL7172610

SCHEMBL7172610

CC1CN(C(=O)OC(C)(C)C)C[C@H]2Cc3ccc(C(=O)O)cc3N12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.45
GPR119 Q8TDV5 2/20 0.39
KMT2A Q03164 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
ESR2 Q92731 1/20 0.37
NR1H2 P55055 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NAMPT P43490 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
TOP2A P11388 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NR4A1 P22736 1/20 0.36

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
SCHEMBL7172612 1.00 USP30 (0.45) USP30GPR119KMT2ASETD7ESR2
SCHEMBL5362680 1.00 USP30 (0.45) USP30GPR119KMT2ASETD7ESR2
SCHEMBL5352958 0.86 CTSD (0.39) USP30GPR119NAMPT
SCHEMBL5356707 0.85 NR1H2 (0.50) USP30GPR119ESR2NR1H2HTR2A
SCHEMBL7144319 0.85 USP30 (0.49) USP30GPR119SETD7ESR2NR1H2
SCHEMBL7144317 0.85 USP30 (0.49) USP30GPR119SETD7ESR2NR1H2
SCHEMBL5359160 0.85 USP30 (0.49) USP30GPR119SETD7ESR2NR1H2
SCHEMBL7155422 0.83 HTR2A (0.54) USP30GPR119ESR2NR1H2HTR2A
SCHEMBL5357456 0.83 HTR2A (0.54) USP30GPR119ESR2HTR2AHTR2C
SCHEMBL5359639 0.83 HTR2A (0.54) USP30GPR119ESR2HTR2AHTR2C

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-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 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-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 USP30 2583/4885GPR119 1/4885KMT2A 2365/4885

“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.