SCHEMBL17812873

SCHEMBL17812873

CC(C)c1ccc2c(ccn2S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.45
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.36
BACE1 P56817 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
FABP4 P15090 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TYR P14679 1/20 0.34

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
SCHEMBL27721190 0.78 HTR6 (0.44) HTR6POLBL3MBTL1KMT2AFABP4
SCHEMBL12994620 0.77 FABP4 (0.54) HTR6POLBL3MBTL1RAPGEF4BACE1
SCHEMBL8386471 0.76 PRKCI (0.55) HTR6POLBL3MBTL1RAPGEF4BACE1
SCHEMBL3021216 0.76 FABP4 (0.52) HTR6POLBL3MBTL1RAPGEF4BACE1
SCHEMBL8503313 0.73 HTR6 (0.44) HTR6POLBL3MBTL1RAPGEF4BACE1
SCHEMBL2300424 0.73 SLC6A2 (0.50) HTR6POLBL3MBTL1
SCHEMBL19105580 0.73 OPRM1 (0.39) HTR6L3MBTL1RAPGEF4KMT2A
SCHEMBL947751 0.73 HTR6 (0.63) HTR6POLBL3MBTL1KMT2AHTT
SCHEMBL4399974 0.73 PRKCI (0.55) L3MBTL1
Hydrochloric Acid SCHEMBL2304655 0.72 SLC6A2 (0.49) HTR6POLBL3MBTL1

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 3 patents. 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
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 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 (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-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 4090/4885POLB 4176/4885L3MBTL1 3952/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 HTR6 26/4885POLB 2322/4885L3MBTL1 2745/4885

“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.