SCHEMBL22854167

SCHEMBL22854167

Cc1cccc2[nH]c(C(=O)N3CCn4ncc(N5CC(C)(C)OC5=O)c4C3)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ HRH4 Q9H3N8 12/20 0.39
▸ POLB P06746 2/20 0.37
▸ MAPK14 Q16539 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL22854142 0.92 HRH4 (0.50) HRH4MAPK14FGFR1FGFR2FGFR3
SCHEMBL22854317 0.91 HRH4 (0.49) DRD2DRD3HRH4MAPK14
SCHEMBL22831725 0.87 HRH4 (0.46) DRD2DRD3HRH4POLBMAPK14
SCHEMBL22854234 0.87 HRH4 (0.48) DRD2DRD3HRH4POLB
SCHEMBL22854158 0.84 HRH4 (0.48) DRD2DRD3HRH4POLB
SCHEMBL22854166 0.84 DRD2 (0.40) DRD2DRD3HRH4MAPK14
SCHEMBL22854156 0.84 DRD2 (0.41) DRD2DRD3POLB
SCHEMBL22854139 0.83 HRH4 (0.49) HRH4POLB
SCHEMBL22854231 0.83 HRH4 (0.49) DRD2DRD3HRH4POLBMAPK14
SCHEMBL22854165 0.82 OPRM1 (0.34) DRD2DRD3POLBMAPK14

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-20200407365-A1 INDOLE-2-CARBONYL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-12-31 — — 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-20200407365-A1 INDOLE-2-CARBONYL COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B IDO2, IDO1, SLC10A1 DRD2 2609/4885DRD3 3078/4885HRH4 1032/4885

“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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