SCHEMBL30148124

SCHEMBL30148124

NC(=O)C1CCc2nccc(=O)n21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.41
F2 P00734 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
ADRA1A P35348 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
PIK3CA P42336 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
SCHEMBL10189486 0.86 ADRB3 (0.44) ADRB3ADRA1AKDM4EMEN1KMT2A
SCHEMBL31264968 0.84 ADRB3 (0.43) ADRB3ADRA1AKDM4EMEN1KMT2A
SCHEMBL31119161 0.83 ADRB3 (0.40) ADRB3
SCHEMBL16188164 0.81 ADRB3 (0.41) ADRB3F2F7F3ALDH1A1
SCHEMBL10189678 0.81 ADRB3 (0.41) ADRB3F2F7F3KDM4E
SCHEMBL15160576 0.73 MAP3K5 (0.33) ADRB3ADRA1A
SCHEMBL16590483 0.71 ADRB3 (0.34) ADRB3
SCHEMBL31565052 0.70 PREP (0.37) F2F7F3ALDH1A1
SCHEMBL11107898 0.68 MGLL (0.31) ADRB3KMT2A
SCHEMBL4186661 0.67 CYP3A4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118078835-A Therapeutic agent for nocturnal frequency 杏林制药株式会社 2024-05-28 CN claimed
CN-118078835-A Therapeutic agent for nocturnal frequency 杏林制药株式会社 2024-05-28 CN disclosed
CN-118078835-A Therapeutic agent for nocturnal frequency 杏林制药株式会社 2024-05-28 CN disclosed
CN-117402117-B Preparation method of 4-pyrimidinone derivative 南京威凯尔生物医药科技有限公司 2024-03-19 CN disclosed
CN-117695286-A Treatment of overactive bladder with velbegron 住友制药(苏州)有限公司 2024-03-15 CN disclosed
CN-117695287-A Treatment of overactive bladder with velbegron 住友制药(苏州)有限公司 2024-03-15 CN disclosed
CN-117402117-A Preparation method of 4-pyrimidinone derivative 南京威凯尔生物医药科技有限公司 2024-01-16 CN disclosed
US-20230027066-A1 USE OF VIBEGRON TO TREAT OVERACTIVE BLADDER UROVANT SCIENCES GMBH (CH) 2023-01-26 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-20230027066-A1 USE OF VIBEGRON TO TREAT OVERACTIVE BLADDER BDKRB2, TACR1, AVPR1B ADRB3 50/4885F2 3363/4885F7 2387/4885

“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.