SCHEMBL20099650

SCHEMBL20099650

CC(C)(C)OC(=O)N1CCC(C(OS(C)(=O)=O)c2ccccc2Br)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
USP30 Q70CQ3 2/20 0.42
MMP13 P45452 5/20 0.41
MMP1 P03956 1/20 0.41
STS P08842 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL20099655 0.85 GPR119 (0.45) GPR119USP30MMP13MMP1STS
SCHEMBL20099648 0.85 GPR119 (0.47) GPR119USP30PRMT5WDR77
SCHEMBL18183476 0.84 GPR119 (0.47) GPR119MMP13MMP1STS
SCHEMBL18183707 0.80 MMP13 (0.48) GPR119MMP13
SCHEMBL18183590 0.79 GPR119 (0.42) GPR119USP30NR1H2
SCHEMBL28184473 0.76 MMP13 (0.47) GPR119MMP13MMP1STS
SCHEMBL30478340 0.75 GPR119 (0.46) GPR119MMP13MMP1
SCHEMBL25874548 0.75 GPR119 (0.46) GPR119MMP13MMP1
SCHEMBL20099649 0.75 GPR119 (0.42) GPR119USP30
SCHEMBL1328345 0.74 GPR119 (0.53) GPR119MMP13MMP1STS

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-20180118750-A1 IMIDAZO ISOINDOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-05-03 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-20180118750-A1 IMIDAZO ISOINDOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF IDO1, IDO2, TPH1 GPR119 170/4885USP30 4380/4885MMP13 2984/4885

“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.