SCHEMBL23612431

SCHEMBL23612431

CCc1ccc2c(ccn2CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ KCNQ3 O43525 2/20 0.36
▸ KCNQ2 O43526 2/20 0.36
▸ KCNQ4 P56696 2/20 0.36
▸ KCNQ5 Q9NR82 2/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ KMO O15229 1/20 0.36

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
SCHEMBL20424510 0.88 KDM4E (0.44) MTNR1AMTNR1BPPARGPPARDPPARA
SCHEMBL20424546 0.87 MAPT (0.42) MTNR1AMTNR1BTP53ROCK2HDAC11
SCHEMBL20436342 0.85 HTR2A (0.45) MTNR1AMTNR1BLMNAHDAC8HDAC6
SCHEMBL23612433 0.81 S1PR1 (0.38) MTNR1AMTNR1BLMNATNFHTR7
SCHEMBL23612457 0.81 KMO (0.54) MTNR1AMTNR1BTP53LMNAHTR7
SCHEMBL3596244 0.80 LMNA (0.60) MTNR1AMTNR1BTP53LMNA
SCHEMBL12043978 0.76 PIK3CD (0.44) NR1H2NR1H3
SCHEMBL25338684 0.76 HTR7 (0.48) MTNR1AMTNR1BLMNAHTR7KMO
SCHEMBL18648124 0.76 HTR7 (0.40) MTNR1AMTNR1BTP53HDAC11HDAC8
SCHEMBL14594165 0.75 ACACB (0.47) MTNR1AMTNR1BTP53ROCK2HTR7

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 MTNR1A 90/4885MTNR1B 182/4885TP53 4459/4885

“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.

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