SCHEMBL22854166

SCHEMBL22854166

Cc1ccc2cc(C(=O)N3CCn4ncc(N5CC(C)(C)OC5=O)c4C3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ HRH4 Q9H3N8 8/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ AKR1C3 P42330 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL22854158 0.93 HRH4 (0.48) DRD2DRD3HRH4AKR1C3NPC1
SCHEMBL22854231 0.92 HRH4 (0.49) DRD2DRD3HRH4MMP9MEN1
SCHEMBL22854230 0.91 HRH4 (0.40) HRH4MMP9MEN1KMT2AGPR183
SCHEMBL22854239 0.90 MMP9 (0.37) HRH4MMP9NPC1RAB9AGPR183
SCHEMBL22831725 0.90 HRH4 (0.46) DRD2DRD3HRH4AKR1C3MAPK14
SCHEMBL22854138 0.90 NPC1 (0.50) DRD2DRD3HRH4NPC1RAB9A
SCHEMBL22854139 0.87 HRH4 (0.49) HRH4MEN1KMT2AGPR183
SCHEMBL22854328 0.86 HRH4 (0.48) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL22854159 0.86 HRH4 (0.36) DRD2DRD3HRH4MMP9MEN1
SCHEMBL22854234 0.84 HRH4 (0.48) DRD2DRD3HRH4TP53MAPT

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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