SCHEMBL20424477

SCHEMBL20424477

COC(=O)Cc1ccc2[nH]c(N3CCOCC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.50
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MCHR1 Q99705 1/20 0.46
▸ LIPE Q05469 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ KDM4A O75164 1/20 0.43
▸ KDM4B O94953 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ KDM4D Q6B0I6 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ ALKBH3 Q96Q83 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ RAB9A P51151 2/20 0.40

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
SCHEMBL20424755 0.86 TP53 (0.54) TP53MAPTALDH1A1MCHR1KDM4E
SCHEMBL20424542 0.74 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4EKDM4AKDM4B
SCHEMBL19145306 0.74 TP53 (0.64) TP53ALDH1A1KDM4EPOLBTDP1
SCHEMBL2650247 0.74 MAPT (0.78) MAPTALDH1A1LIPEPOLBTDP1
SCHEMBL12470838 0.73 MAPT (0.54) TP53MAPTALDH1A1LIPETDP1
SCHEMBL23589337 0.72 SMN1; SMN2 (0.45) MAPTALDH1A1KDM4EKDM4AKDM4B
SCHEMBL6239333 0.72 TP53 (0.64) TP53MAPTKDM4EPOLBPIK3CA
SCHEMBL19117309 0.71 TP53 (0.59) TP53MAPTALDH1A1KDM4EPOLB
SCHEMBL6582964 0.71 MAPT (0.59) MAPTALDH1A1LIPEKDM4EPOLB
SCHEMBL31263991 0.71 MAPT (0.59) MAPTALDH1A1LIPEKDM4EPOLB

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 TP53 4459/4885MAPT 3199/4885ALDH1A1 118/4885

“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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