SCHEMBL20424854

SCHEMBL20424854

CCOC(=O)C(C)(C)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.57
▸ GABRB2 P47870 2/20 0.57
▸ GABRB1 P18505 1/20 0.57
▸ GABRA3 P34903 1/20 0.57
▸ NR4A2 P43354 1/20 0.48
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ GPR84 Q9NQS5 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
SCHEMBL6218880 0.86 GAA (0.47) GABRA1GABRB2MTNR1AMTNR1B
SCHEMBL8182308 0.83 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL30202324 0.81 MTNR1A (0.43) GABRA1GABRB2GABRB1GABRA3MTNR1A
SCHEMBL5808051 0.77 TRPM8 (0.59) GABRA1GABRB2GABRB1GABRA3
SCHEMBL5739049 0.76 GABRA1 (0.82) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL25255182 0.75 GABRA1 (0.52) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL31191892 0.75 GABRA1 (0.52) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL4687515 0.75 GABRA1 (0.52) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL18512329 0.74 PTGDR2 (0.43) —
SCHEMBL28992882 0.74 GPR84 (0.53) GABRA1GABRB2GABRB1GABRA3NR4A2

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
EP-3573960-B1 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) 2023-08-16 — — EP disclosed
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
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 — — WO 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 GABRA1 811/4885GABRB2 885/4885GABRB1 1057/4885

“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.

Send feedback