SCHEMBL4097080

SCHEMBL4097080

C[C@@H]1CN([C@H](C(=O)O)c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC6A9 P48067 1/20 0.43
ATM Q13315 1/20 0.42
SETD7 Q8WTS6 1/20 0.41
MAP4K4 O95819 1/20 0.41
NR1H2 P55055 4/20 0.41
GLS O94925 1/20 0.41
NR1H3 Q13133 3/20 0.39
GPR119 Q8TDV5 3/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14035363 1.00 LMNA (0.45) LMNAGAAHDAC1KDM4ESLC6A9
SCHEMBL4099573 1.00 LMNA (0.45) LMNAGAAHDAC1KDM4ESLC6A9
SCHEMBL14035298 0.92 HDAC1 (0.43) HDAC1KDM4ESLC6A9ATMSETD7
SCHEMBL28602480 0.88 SLC6A9 (0.56) SLC6A9MEN1KMT2A
SCHEMBL18271394 0.88 SLC6A9 (0.56) SLC6A9MEN1KMT2A
SCHEMBL18271130 0.88 SLC6A9 (0.56) SLC6A9MEN1KMT2A
SCHEMBL14035361 0.83 SLC6A9 (0.43) HDAC1SLC6A9ATMSETD7MAP4K4
SCHEMBL1852622 0.80 GLS (0.57) LMNAGAAKDM4EATMGLS
SCHEMBL16822486 0.78 SLC6A9 (0.43) HDAC1SLC6A9ATMSETD7MAP4K4
SCHEMBL16822525 0.78 SLC6A9 (0.43) HDAC1SLC6A9ATMSETD7MAP4K4

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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT LMNA 4074/4885GAA 831/4885HDAC1 210/4885

“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.