SCHEMBL23612449

SCHEMBL23612449

CC(C)c1ccc2c(c1)C(O)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.40
CHRM4 P08173 3/20 0.39
HTR7 P34969 3/20 0.39
DRD2 P14416 1/20 0.39
RXRA P19793 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21065442 0.90 UGT2B17 (0.40) KARS1CHRM4HTR7DRD2RXRA
SCHEMBL7906088 0.86 PGR (0.43) KARS1RXRACCNE1CDK2RXRB
SCHEMBL22758505 0.86 PGR (0.43) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20840965 0.79 ACHE (0.44) KARS1RXRACCNE1CDK2RXRB
SCHEMBL7914228 0.76 PGR (0.45) KARS1RXRACCNE1CDK2RXRB
SCHEMBL17571270 0.76 UGT2B17 (0.46) CHRM4HTR7DRD2CYP2D6KMT2A
SCHEMBL17571271 0.76 UGT2B17 (0.46) CHRM4HTR7DRD2CYP2D6KMT2A
SCHEMBL836185 0.76 UGT2B17 (0.46) CHRM4HTR7DRD2CYP2D6KMT2A
SCHEMBL21659167 0.74 USP2 (0.40) CHRM4HTR7DRD2MEN1KMT2A
SCHEMBL12376492 0.74 CYP1A2 (0.46) KARS1DRD2RXRACCNE1CDK2

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 KARS1 2319/4885CHRM4 1199/4885HTR7 2916/4885

“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.