SCHEMBL23612433

SCHEMBL23612433

CC(C)c1ccc2c(ccn2CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR7 P34969 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMO O15229 2/20 0.35
EPHX2 P34913 1/20 0.35
HTR2C P28335 1/20 0.35
ACACB O00763 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35

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
SCHEMBL20436342 0.84 HTR2A (0.45) MTNR1AMTNR1BLMNAKMOHTR2C
SCHEMBL23612472 0.82 KMO (0.52) S1PR1MTNR1AMTNR1BHTR7LMNA
SCHEMBL23612431 0.81 MTNR1A (0.41) MTNR1AMTNR1BHTR7LMNAKMO
SCHEMBL20424510 0.80 KDM4E (0.44) MTNR1AMTNR1BKMOITGB3ITGB1
SCHEMBL3596244 0.79 LMNA (0.60) MTNR1AMTNR1BLMNACYP1A2CYP3A4
SCHEMBL20424546 0.79 MAPT (0.42) MTNR1AMTNR1BEPHX2
SCHEMBL23612448 0.76 ACACB (0.46) MTNR1AMTNR1BHTR7CYP1A2CYP3A4
SCHEMBL17306119 0.76 PIK3CD (0.49) MAPK1
SCHEMBL25338684 0.75 HTR7 (0.48) MTNR1AMTNR1BHTR7LMNAKMO
SCHEMBL5517363 0.73 KMT2A (0.55) EPHX2HTR2CTHRATHRB

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 S1PR1 1055/4885MTNR1A 90/4885MTNR1B 182/4885

“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.