SCHEMBL23612457

SCHEMBL23612457

CCc1ccc2c(ccn2CCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.54
▸ OXER1 Q8TDS5 1/20 0.46
▸ ITGB3 P05106 3/20 0.46
▸ ITGAV P06756 2/20 0.46
▸ ITGB5 P18084 2/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ S1PR1 P21453 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ ITGA2B P08514 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ PPARD Q03181 1/20 0.41

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
SCHEMBL12320222 0.85 KMT2A (0.57) OXER1TP53MAPTAKR1C3AKR1C2
SCHEMBL13345643 0.82 KMO (0.56) KMOITGB3ITGAVITGB5ITGB1
SCHEMBL14594165 0.81 ACACB (0.47) TP53MTNR1AMTNR1BMAPTRORC
SCHEMBL23612431 0.81 MTNR1A (0.41) KMOTP53LMNAMTNR1AMTNR1B
SCHEMBL16479302 0.81 HTR7 (0.46) TP53MTNR1AMTNR1BHTR7
SCHEMBL1576323 0.79 KMO (0.78) KMOOXER1ITGB3ITGAVITGB5
SCHEMBL29758270 0.79 KMO (0.56) KMOITGB3ITGAVITGB5ITGB1
SCHEMBL19100386 0.79 KMO (0.56) KMOITGB3ITGAVITGB5ITGB1
SCHEMBL14459558 0.79 OXER1 (0.61) OXER1S1PR1PPARGNR1H2PPARD
SCHEMBL18856945 0.78 PLG (0.45) OXER1TP53MTNR1AMTNR1BRORC

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 KMO 2567/4885OXER1 214/4885ITGB3 3146/4885

“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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