SCHEMBL23922871

SCHEMBL23922871

CCOC(=O)c1c(C)nn2c(CO[C@H]3CC[C@@H](c4ccccc4)CC3)c(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
HCRTR2 O43614 2/20 0.38
MAPK1 P28482 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALOX5 P09917 1/20 0.37
PLAT P00750 2/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
PDE4B Q07343 1/20 0.35
MAPT P10636 5/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23922870 1.00 PDE4D (0.40) PDE4DHCRTR2MAPK1MEN1KMT2A
SCHEMBL22092257 0.97 PDE4D (0.38) PDE4DHCRTR2MAPK1MEN1KMT2A
SCHEMBL22092258 0.97 PDE4D (0.38) PDE4DHCRTR2MAPK1MEN1KMT2A
SCHEMBL23922821 0.92 HCRTR2 (0.36) HCRTR2
SCHEMBL23922820 0.92 HCRTR2 (0.36) HCRTR2
SCHEMBL23922957 0.76 HCRTR2 (0.35) HCRTR2
SCHEMBL23922959 0.76 HCRTR2 (0.35) HCRTR2
SCHEMBL7303942 0.65 PDE4D (0.51) PDE4DMAPK1MEN1KMT2AALDH1A1
SCHEMBL16454124 0.65 PLAT (0.38) PDE4DMEN1KMT2AALOX5PLAT
SCHEMBL18361625 0.63 DRD2 (0.49) HCRTR2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091410-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-17 US disclosed
EP-3896060-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-08-16 EP disclosed
US-20220017514-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
EP-3896060-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-10-20 EP 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 (2 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-12091410-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 PDE4D 2809/4885HCRTR2 1/4885MAPK1 884/4885
US-20220017514-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NTSR2 PDE4D 2809/4885HCRTR2 1/4885MAPK1 884/4885

“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.