SCHEMBL23612481

SCHEMBL23612481

CC(C)c1cccc2c1CN(S(C)(=O)=O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.38
DRD3 P35462 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
XIAP P98170 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 4/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HTT P42858 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL16154964 0.86 ESR1 (0.44) HTR6ESR1ESR2CYP1A2CYP3A4
SCHEMBL19957904 0.86 ESR1 (0.44) ALDH1A1NPSR1ESR1ESR2LIPG
SCHEMBL20436365 0.78 ALDH1A1 (0.49) HTR6DRD3ALDH1A1NPSR1DRD2
SCHEMBL520028 0.77 AKR1C3 (0.44) HTR6DRD3ALDH1A1NPSR1DRD2
SCHEMBL1266336 0.74 ESR1 (0.49) L3MBTL1ALDH1A1ESR1ESR2CYP1A2
SCHEMBL14159060 0.74 MAOA (0.39) HTR6DRD3NPSR1DRD2FAAH
SCHEMBL15564656 0.73 XIAP (0.41) HTR6DRD3XIAPALDH1A1NPSR1
SCHEMBL25734243 0.73 ALDH1A1 (0.43) HTR6DRD3ALDH1A1HTTTSHR
SCHEMBL2741665 0.73 KCNH2 (0.38) ALDH1A1FAAHCA1CA2LMNA
SCHEMBL31514921 0.71 HTR6 (0.35) HTR6DRD3L3MBTL1ALDH1A1DRD2

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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB HTR6 4090/4885DRD3 3367/4885L3MBTL1 3952/4885

“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.