SCHEMBL23612487

SCHEMBL23612487

C/C=C(\C)CNC(=O)COC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SPR P35270 2/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 3/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL15701340 0.80 TSHR (0.40) TSHRRECQLNPSR1SPRMGAM
SCHEMBL14516286 0.78 RECQL (0.41) TSHRRECQLNPSR1SPRHPGD
SCHEMBL2252214 0.76 EGLN1 (0.52) TSHRRECQLNPSR1SPRHPGD
SCHEMBL23135465 0.76 RECQL (0.61) TSHRRECQLNPSR1SPRMGAM
SCHEMBL4588095 0.74 SPR (0.40) TSHRRECQLNPSR1SPRHPGD
SCHEMBL3349993 0.74 RECQL (0.39) TSHRRECQLNPSR1SPRHPGD
SCHEMBL23522323 0.74 RECQL (0.39) TSHRRECQLNPSR1SPRHPGD
SCHEMBL24242126 0.72 RECQL (0.38) TSHRRECQLNPSR1SPRHPGD
SCHEMBL11988643 0.72
SCHEMBL2730627 0.72 SPR (0.49) TSHRNPSR1SPRHPGDALDH1A1

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 TSHR 1403/4885RECQL 3925/4885NPSR1 2259/4885

“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.