SCHEMBL5597123

SCHEMBL5597123

N#CCN1CCCC(N2CCc3cncc4cccc2c34)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.38
BTK Q06187 1/20 0.34
UCHL1 P09936 2/20 0.32
NLRP3 Q96P20 1/20 0.32
DRD2 P14416 7/20 0.32
KDM2B Q8NHM5 1/20 0.32
ROCK2 O75116 1/20 0.32
SOS1 Q07889 1/20 0.32
DRD3 P35462 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
SCHEMBL5597037 0.90 GSK3B (0.37) DRD2KDM2BROCK2DRD3
SCHEMBL5596515 0.85 DRD2 (0.39) DRD2ROCK2DRD3
SCHEMBL5596830 0.84 DRD2 (0.36) DRD2ROCK2DRD3
SCHEMBL5596793 0.84 DRD2 (0.47) DRD2KDM2BDRD3
SCHEMBL5596494 0.84 DRD2 (0.36) DRD2ROCK2DRD3
SCHEMBL5596645 0.84 DRD2 (0.40) DRD2ROCK2DRD3
SCHEMBL5596490 0.84 DRD2 (0.32) DRD2
SCHEMBL5596954 0.83 DRD2 (0.38) DRD2DRD3
SCHEMBL5596672 0.83 OPRL1 (0.36) DRD3
SCHEMBL5597147 0.83 DRD2 (0.41) DRD2DRD3

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-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A MTOR 1041/4885BTK 2694/4885UCHL1 2859/4885

“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.