SCHEMBL31028084

SCHEMBL31028084

COc1ccc2c(c1)CCC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.62
DRD2 P14416 8/20 0.62
DRD3 P35462 8/20 0.62
DRD5 P21918 8/20 0.62
DRD4 P21917 5/20 0.62
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CHRNA7 P36544 1/20 0.55
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
BCL2 P10415 1/20 0.52

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
SCHEMBL1506557 1.00 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL30299229 0.95 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL577378 0.95 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL4133301 0.93 DRD1 (0.60) DRD1DRD2DRD3DRD5DRD4
SCHEMBL30888625 0.93 DRD1 (0.60) DRD1DRD2DRD3DRD5DRD4
SCHEMBL20231604 0.93 DRD1 (0.60) DRD1DRD2DRD3DRD5DRD4
SCHEMBL2607471 0.91 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
Methylene Chloride SCHEMBL29094368 0.88 DRD1 (0.55) DRD1DRD2DRD3DRD5DRD4
SCHEMBL12077890 0.84 DRD1 (0.51) DRD1DRD2DRD3DRD5DRD4
Propylamine SCHEMBL9435187 0.83 DRD2 (0.51) DRD1DRD2DRD3DRD5DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145637-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2025-05-08 US disclosed
US-20250122182-A1 MYST Inhibitors Isosterix, Inc. 2025-04-17 US disclosed
CN-118546047-B Preparation method of cyclic chiral nitrile compound and application of cyclic chiral nitrile compound in preparation of ramelteon 北京师范大学 2025-02-07 CN disclosed
CN-118546047-A Preparation method of cyclic chiral nitrile compound and application of cyclic chiral nitrile compound in preparation of ramelteon 北京师范大学 2024-08-27 CN 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 (2 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-20250145637-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SULT2A1, KAT8, TST DRD1 4735/4885DRD2 4767/4885DRD3 4813/4885
US-20250122182-A1 MYST Inhibitors MNAT1, SUGT1, ACAT2 DRD1 4809/4885DRD2 4850/4885DRD3 4805/4885

“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.