SCHEMBL26203243

SCHEMBL26203243

COc1ccc2c(c1)CCN1Cc3c(ccc(OC)c3OS(=O)(=O)c3cccc(C)c3)CC21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 12/20 0.59
DRD2 P14416 10/20 0.54
DRD3 P35462 7/20 0.54
DRD5 P21918 6/20 0.54
F3 P13726 5/20 0.54
SIGMAR1 Q99720 2/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
DRD4 P21917 3/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.47

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
SCHEMBL26203173 1.00 DRD1 (0.59) DRD1DRD2DRD3DRD5F3
SCHEMBL26203165 1.00 DRD1 (0.59) DRD1DRD2DRD3DRD5F3
SCHEMBL30000441 0.92 DRD1 (0.62) DRD1DRD2DRD3DRD5F3
SCHEMBL909815 0.92 DRD1 (0.62) DRD1DRD2DRD3DRD5F3
SCHEMBL26203168 0.90 DRD1 (0.58) DRD1DRD2DRD3DRD5F3
SCHEMBL910897 0.90 DRD1 (0.58) DRD1DRD2DRD3DRD5F3
SCHEMBL29405499 0.90 DRD1 (0.58) DRD1DRD2DRD3DRD5F3
SCHEMBL26203178 0.90 DRD1 (0.58) DRD1DRD2DRD3DRD5F3
SCHEMBL910354 0.89 DRD1 (0.56) DRD1DRD2DRD3DRD5F3
SCHEMBL30000006 0.89 DRD1 (0.56) DRD1DRD2DRD3DRD5F3

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-20230279002-A1 Polymorphs of Crystalline Forms of 3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-9-yl 3-fluorobenzenesulfonate and Salts Thereof CVI PHARMACEUTICALS LIMITED (KY) 2023-09-07 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-20230279002-A1 Polymorphs of Crystalline Forms of 3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-9-yl 3-fluorobenzenesulfonate and Salts Thereof GYS2, APOB, LSS DRD1 4616/4885DRD2 4531/4885DRD3 3663/4885

“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.