SCHEMBL23116374

SCHEMBL23116374

COc1cccc(OC2CCN(C(=O)c3cn(C)c4c(C)cn(C)c(=O)c34)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
MAPK1 P28482 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.42
PROKR1 Q8TCW9 2/20 0.41
FPR2 P25090 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
HSD11B1 P28845 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38

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
SCHEMBL29839294 1.00 EPHX2 (0.44) EPHX2MAPK1KDM4EALOX15PROKR1
SCHEMBL23116376 0.90 KDM4E (0.46) EPHX2MAPK1KDM4EALOX15ALDH1A1
SCHEMBL22755115 0.90 TRPA1 (0.48) EPHX2MAPK1KDM4EALOX15PROKR1
SCHEMBL29839346 0.90 TRPA1 (0.48) EPHX2MAPK1KDM4EALOX15PROKR1
SCHEMBL22729684 0.89 SPR (0.44) EPHX2MAPK1KDM4EALOX15ALDH1A1
SCHEMBL22729743 0.87 MEN1 (0.48) EPHX2KMT2ATP53MAPTLMNA
SCHEMBL22755110 0.86 EPHX2 (0.42) EPHX2MAPK1KDM4EALOX15PROKR1
SCHEMBL22729528 0.86 EPHX2 (0.42) EPHX2MAPK1KDM4EALOX15ALDH1A1
SCHEMBL23116424 0.85 HRH1 (0.51) PROKR1FPR2CCR3
SCHEMBL29839387 0.85 HRH1 (0.51) PROKR1FPR2CCR3

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
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC EPHX2 2093/4885MAPK1 1029/4885KDM4E 1315/4885

“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.