SCHEMBL29999873

SCHEMBL29999873

COc1cc2c(cc1C(=O)NCCO)C1Cc3ccc(OC)c(OS(=O)(=O)c4ccccc4)c3CN1CC2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 13/20 0.51
DRD2 P14416 11/20 0.51
F3 P13726 10/20 0.51
DRD3 P35462 8/20 0.51
DRD5 P21918 5/20 0.51
SIGMAR1 Q99720 4/20 0.51
CYP3A4 P08684 1/20 0.51
DRD4 P21917 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
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
SCHEMBL910671 1.00 DRD1 (0.51) DRD1DRD2F3DRD3DRD5
SCHEMBL2742599 0.90 DRD1 (0.55) DRD1DRD2F3DRD3DRD5
SCHEMBL910222 0.88 DRD1 (0.56) DRD1DRD2F3DRD3DRD5
SCHEMBL29999760 0.88 DRD1 (0.56) DRD1DRD2F3DRD3DRD5
SCHEMBL910002 0.88 DRD1 (0.58) DRD1DRD2F3DRD3DRD5
SCHEMBL30000305 0.88 DRD1 (0.58) DRD1DRD2F3DRD3DRD5
SCHEMBL29999897 0.85 DRD1 (0.55) DRD1DRD2F3DRD3DRD5
SCHEMBL910675 0.85 DRD1 (0.55) DRD1DRD2F3DRD3DRD5
SCHEMBL23206839 0.85 DRD1 (0.51) DRD1DRD2F3DRD3DRD5
SCHEMBL29999932 0.85 DRD1 (0.70) DRD1DRD2F3DRD3DRD5

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-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2022-12-08 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-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A DRD1 4727/4885DRD2 4557/4885F3 1928/4885

“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.