SCHEMBL25920828

SCHEMBL25920828

CCCOCCOCCn1cc(CC)nn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.48
DRD2 P14416 6/20 0.46
NCF1 P14598 10/20 0.41
CYBB P04839 1/20 0.40
NOX5 Q96PH1 1/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 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
SCHEMBL23267580 1.00 GBA1 (0.48) GBA1DRD2NCF1CYBBNOX5
SCHEMBL23267576 1.00 GBA1 (0.48) GBA1DRD2NCF1CYBBNOX5
SCHEMBL12033359 0.98 GBA1 (0.49) GBA1DRD2NCF1CYBBNOX5
SCHEMBL25921415 0.90 DRD2 (0.46) GBA1DRD2NCF1CYBBNOX5
SCHEMBL23268012 0.89 DGAT1 (0.42) GBA1DRD2NCF1CYBBNOX5
SCHEMBL12033014 0.89 DGAT1 (0.42) GBA1DRD2NCF1CYBBNOX5
SCHEMBL19589313 0.89 DGAT1 (0.42) GBA1DRD2NCF1CYBBNOX5
SCHEMBL24894085 0.89 DRD2 (0.53) GBA1DRD2NCF1CYBBNOX5
SCHEMBL23267819 0.89 DGAT1 (0.42) GBA1DRD2NCF1CYBBNOX5
SCHEMBL19576084 0.87 GBA1 (0.49) GBA1DRD2NCF1CYBBNOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114746-A1 FUNCTIONALIZED N-ACETYLGALACTOSAMINE ANALOGS HONGENE BIOTECH CORPORATION (US) 2023-06-22 WO disclosed
US-20170166562-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS INC (US) 2017-06-15 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-20170166562-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 GBA1 759/4885DRD2 399/4885NCF1 3578/4885

“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.