SCHEMBL23726701

SCHEMBL23726701

NCCCn1nc2ccc(Br)cn2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.54
▸ GPR139 Q6DWJ6 2/20 0.45
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ HTR1A P08908 8/20 0.35
▸ DRD2 P14416 8/20 0.35
▸ HTR2A P28223 8/20 0.35
▸ KCNH2 Q12809 4/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ HTR6 P50406 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ LMNA P02545 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
SCHEMBL23725860 0.82 PDE10A (0.56) PDE10AGPR139SLC5A1SLC5A2KDM4E
SCHEMBL23725342 0.79 PDE10A (0.54) PDE10AGPR139KDM4EALDH1A1
SCHEMBL23725814 0.77 PDE10A (0.49) PDE10AGPR139SLC5A1SLC5A2HTR1A
SCHEMBL17379486 0.75 PDE10A (0.50) PDE10AGPR139SLC5A1SLC5A2HTR1A
SCHEMBL22092249 0.74 GPR139 (0.48) PDE10AGPR139SLC5A1SLC5A2KDM4E
SCHEMBL17141031 0.74 PDE10A (0.47) PDE10AGPR139SLC5A1SLC5A2HTR6
SCHEMBL22206303 0.73 GPR139 (0.47) PDE10AGPR139SLC5A1SLC5A2KDM4E
Hydrochloric Acid SCHEMBL22206372 0.72 GPR139 (0.47) PDE10AGPR139SLC5A1SLC5A2KDM4E
SCHEMBL17141321 0.70 GPR139 (0.58) PDE10AGPR139SLC5A1SLC5A2KDM4E
SCHEMBL17141252 0.70 GPR139 (0.56) PDE10AGPR139SLC5A1SLC5A2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 — — US disclosed
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 — — EP disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 — — WO 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-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL PDE10A 4271/4885GPR139 3018/4885SLC5A1 1773/4885

“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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