SCHEMBL23612424

SCHEMBL23612424

CC(C)c1ccc2[nH]cc(CCS(C)(=O)=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.66
HTR1B P28222 5/20 0.63
MPO P05164 2/20 0.43
SLC6A4 P31645 2/20 0.43
SPR P35270 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
HTR6 P50406 2/20 0.41
HTR7 P34969 1/20 0.41
HTR5A P47898 1/20 0.41
HTR2A P28223 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
IKBKB O14920 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL20436335 0.81 HTR2A (0.63) HTR1DHTR1BMPOSLC6A4NR3C1
SCHEMBL22643951 0.81 HTR1D (0.75) HTR1DHTR1BMPOHTR2AHTR1A
SCHEMBL25903380 0.81 HTR1D (0.69) HTR1DHTR1BSPRHTR2ATP53
SCHEMBL1272247 0.80 MPO (0.64) MPOSLC6A4HTR2AHTR1A
SCHEMBL2540516 0.80 HTR1D (1.00) HTR1DHTR1BMPOHTR6HTR7
SCHEMBL7755853 0.80 HTR1D (0.73) HTR1DHTR1BMPOSLC6A4SPR
Hydrochloric Acid SCHEMBL7816441 0.78 HTR1D (0.97) HTR1DHTR1BMPOHTR6HTR7
SCHEMBL1272559 0.76 HTR2A (0.57) HTR1DHTR1BMPOSLC6A4HTR6
SCHEMBL22643883 0.76 HTR1D (0.68) HTR1DHTR1BSLC6A4NR3C1PGR
Oxalic Acid SCHEMBL2535942 0.76 HTR1D (0.84) HTR1DHTR1BMPOHTR6HTR7

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 HTR1D 2935/4885HTR1B 3821/4885MPO 3422/4885

“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.