SCHEMBL23612450

SCHEMBL23612450

CC(C)c1ccc2c(CO)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.51
HTR1B P28222 5/20 0.49
KIF11 P52732 1/20 0.47
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
HTR1A P08908 2/20 0.45
ADRB1 P08588 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1E P28566 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HASPIN Q8TF76 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL21008475 0.85 HTR1D (0.53) HTR1DHTR1BKIF11HTR2AHTR2C
SCHEMBL27570797 0.81 HTR1D (0.78) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL20883581 0.81 HTR1D (0.57) HTR1DHTR1BKIF11HTR2AHTR2C
Hydrochloric Acid SCHEMBL2769969 0.80 HTR1D (0.76) HTR1DHTR1BHTR2AHTR2CHTR2B
SCHEMBL14472464 0.80 CSNK2A1 (0.53) HTR1DHTR1BKIF11HTR2AHTR2C
SCHEMBL4612891 0.77 HTR2A (0.65) HTR1DKIF11HTR2AHTR2CHTR2B
SCHEMBL10147746 0.75 KIF11 (0.49) HTR1DHTR1BKIF11HTR2ALMNA
SCHEMBL888682 0.75 KIF11 (0.49) HTR1DHTR1BKIF11HTR2AHTR2C
SCHEMBL23612451 0.75 HTR1D (0.40) HTR1DHTR1BKIF11HTR2AHTR2C
SCHEMBL7755853 0.74 HTR1D (0.73) HTR1DHTR1BHTR2AHTR2CHTR2B

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 3821/4885KIF11 3346/4885

“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.