SCHEMBL30997764

SCHEMBL30997764

CN1CCN(c2cc(C3CC3)cn3cc(CNc4cc(Br)ccn4)nc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.36
▸ ACHE P22303 2/20 0.35
▸ IGF1R P08069 2/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CCNT1 O60563 3/20 0.32
▸ CDK9 P50750 3/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ ROCK1 Q13464 2/20 0.31
▸ CDC42BPB Q9Y5S2 2/20 0.31
▸ CDC42BPA Q5VT25 1/20 0.31
▸ HDAC3 O15379 1/20 0.31

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
SCHEMBL29302912 1.00 HRH4 (0.36) HRH4ACHEIGF1RCCNA2CDK2
SCHEMBL24737667 0.87 HRH4 (0.38) HRH4IGF1RDRD2DRD4DRD3
SCHEMBL30997777 0.85 ACHE (0.39) HRH4ACHEIGF1RHRH3
SCHEMBL24737625 0.85 SLC6A2 (0.34) HRH4ACHEIGF1RCCNT1CDK9
SCHEMBL24737418 0.85 ACHE (0.39) HRH4ACHEIGF1RHRH3
SCHEMBL24738494 0.83 ADRA2B (0.37) HRH4ACHEIGF1RCCNA2CDK2
SCHEMBL29879202 0.83 ADRA2B (0.37) HRH4ACHEIGF1RCCNA2CDK2
SCHEMBL29958586 0.82 HRH4 (0.35) HRH4IGF1RHRH3
SCHEMBL30997769 0.79 HRH1 (0.38) HRH4IGF1RCCNT1CDK9DRD2
SCHEMBL24738259 0.79 HRH1 (0.38) HRH4IGF1RCCNT1CDK9DRD2

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 2 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

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 HRH4 1751/4885ACHE 1293/4885IGF1R 4634/4885

“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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