SCHEMBL29277928

SCHEMBL29277928

Brc1cc(NCc2cn3cc(C4CC4)cnc3n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KLKB1 P03952 7/20 0.33
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRM5 P41594 6/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ METTL3 Q86U44 1/20 0.30

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
SCHEMBL24729468 0.83 METTL3 (0.44) KLKB1MEN1NPC1ALDH1A1HPGD
SCHEMBL24737618 0.81 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KLKB1MEN1
SCHEMBL29302547 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3KLKB1
SCHEMBL24738566 0.79 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KLKB1NPC1
SCHEMBL24738565 0.79 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KLKB1NPC1
SCHEMBL29302909 0.79 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KLKB1NPC1
SCHEMBL24738567 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KLKB1NPC1
SCHEMBL24738210 0.78 AR (0.37) SLC6A2SLC6A4SLC6A3KLKB1RXRA
SCHEMBL24739096 0.78 KLKB1 (0.37) SLC6A2SLC6A4SLC6A3KLKB1NPC1
SCHEMBL24739276 0.78 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KLKB1

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
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 — — US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 — — US disclosed
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 — — CN disclosed
WO-2022197763-A1 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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 SLC6A2 3399/4885SLC6A4 3446/4885SLC6A3 3897/4885

“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.

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