SCHEMBL22854158

SCHEMBL22854158

Cc1ccc2[nH]c(C(=O)N3CCn4ncc(N5CC(C)(C)OC5=O)c4C3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ AKR1C3 P42330 6/20 0.44
▸ DRD3 P35462 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL22854166 0.93 DRD2 (0.40) HRH4NPC1RAB9AKMT2AMEN1
SCHEMBL22854139 0.92 HRH4 (0.49) HRH4KMT2AMEN1POLBHRH3
SCHEMBL22854328 0.91 HRH4 (0.48) HRH4NPC1RAB9AKMT2AMEN1
SCHEMBL22831725 0.90 HRH4 (0.46) HRH4AKR1C3DRD3DRD2POLB
SCHEMBL22854157 0.90 HRH4 (0.50) HRH4NPC1RAB9AKMT2AMEN1
SCHEMBL22854231 0.87 HRH4 (0.49) HRH4KMT2AMEN1DRD3DRD2
SCHEMBL22854230 0.86 HRH4 (0.40) HRH4KMT2AMEN1
SCHEMBL22854239 0.85 MMP9 (0.37) HRH4NPC1RAB9A
SCHEMBL22854167 0.84 DRD2 (0.41) HRH4DRD3DRD2POLB
SCHEMBL22854159 0.84 HRH4 (0.36) HRH4KMT2AMEN1DRD3DRD2

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 HRH4 1032/4885NPC1 262/4885RAB9A 2639/4885

“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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