SCHEMBL29136911

SCHEMBL29136911

COC(=O)[C@H]1CC([Se]c2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
FKBP1A P62942 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
PREP P48147 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 1/20 0.41
CPB1 P15086 1/20 0.41

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
SCHEMBL29510832 0.92 POLB (0.44) POLBFKBP1APREPNPC1RAB9A
SCHEMBL14762669 0.92 POLB (0.44) POLBFKBP1APREPNPC1RAB9A
SCHEMBL2229857 0.90 POLB (0.46) POLBTSHRFKBP1APREPHTR2C
SCHEMBL2229858 0.90 POLB (0.46) POLBTSHRFKBP1APREPHTR2C
SCHEMBL6787441 0.85 FKBP1A (0.43) POLBFKBP1A
SCHEMBL7802196 0.83 POLB (0.52) POLBALDH1A1FKBP1ANPSR1MITF
SCHEMBL2300448 0.83 POLB (0.52) POLBALDH1A1FKBP1ANPSR1MITF
SCHEMBL1864842 0.83 POLB (0.52) POLBALDH1A1FKBP1ANPSR1MITF
SCHEMBL30170293 0.83 NR1H2 (0.46) POLBCYP3A4CYP2C19CYP1A2
SCHEMBL29548830 0.83 NR1H2 (0.46) POLBCYP3A4CYP2C19CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 EP disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 POLB 4692/4885ALDH1A1 3026/4885CYP3A4 595/4885

“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.