SCHEMBL23612464

SCHEMBL23612464

CC1(C)OCc2cc(CC3(C(=O)O)CC3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.37
MGAM O43451 5/20 0.37
SI P14410 5/20 0.37
MGAM2 Q2M2H8 5/20 0.37
CTSB P07858 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SSTR5 P35346 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RXRA P19793 1/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TACR1 P25103 1/20 0.31
TACR3 P29371 1/20 0.31
GHSR Q92847 1/20 0.31

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
Acetic Acid SCHEMBL5482093 0.80 KDM4E (0.38) GAAMGAMSIMGAM2CTSB
SCHEMBL13018533 0.79 CTSB (0.42) CTSB
SCHEMBL6155424 0.78 CYP4F2 (0.36) CTSBCYP4F2CYP4A11
SCHEMBL19143597 0.77 ALOX15 (0.40) PPARGPPARAMAPK13MAPK12MAPK11
SCHEMBL12463708 0.77 SLC7A5 (0.47) PPARG
SCHEMBL23612453 0.76 PARP1 (0.42) KDM1AMAOAMAOBCYP1A2
SCHEMBL6189927 0.75 PTGS2 (0.38) GAACTSBCYP4F2CYP4A11ALDH1A1
SCHEMBL5534700 0.75 HIF1A (0.32) CTSBKDM1AMAOAMAOBCYP1A2
SCHEMBL6157517 0.75 HIF1A (0.35) KDM1AMAOAMAOB
SCHEMBL960318 0.75 MAPT (0.46) ALDH1A1NPC1RAB9ARXRAHPGD

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 2 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

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 GAA 839/4885MGAM 4315/4885SI 4192/4885

“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.