SCHEMBL29327425

SCHEMBL29327425

C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.50
USP30 Q70CQ3 5/20 0.48
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
TSHR P16473 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
DPP4 P27487 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
LIPE Q05469 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
RORC P51449 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL29327279 0.85 HDAC1 (0.47) USP30GPR119LIPEHDAC1HDAC2
SCHEMBL29327274 0.84 GRM5 (0.48) USP30GPR119RORC
SCHEMBL29327437 0.83 MEN1 (0.50) USP30GPR119
SCHEMBL23777806 0.82 STS (0.48) GPR119MGLL
SCHEMBL29327296 0.81 GPR119 (0.56) USP30GPR119NR1H2
SCHEMBL5725565 0.80 NR1H2 (0.46) USP30GPR119NR1H2LIPESMARCA2
SCHEMBL21876801 0.80 USP30 (0.51) USP30GPR119NR1H2RORC
SCHEMBL18043598 0.80 GPR119 (0.56) USP30GPR119NR1H2RORCSMARCA2
SCHEMBL18061524 0.80 GPR119 (0.56) USP30GPR119NR1H2RORCSMARCA2
SCHEMBL18043582 0.80 GPR119 (0.60) GPR119

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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 ADAMTS5 1577/4885USP30 2950/4885MMP2 837/4885

“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.