SCHEMBL23116377

SCHEMBL23116377

COc1ccc(C2CCCCN2C(=O)c2cn(C)c3c(C)cn(C)c(=O)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
ROCK2 O75116 2/20 0.42
SCD5 Q86SK9 7/20 0.41
SCD O00767 3/20 0.41
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL22754965 0.97 HSD17B10 (0.51) HSD17B10ROCK2SCD5SCDKDM4E
SCHEMBL23116404 0.89 ROCK2 (0.49) HSD17B10ROCK2SCD5HCRTR1HCRTR2
SCHEMBL22729509 0.88 HSP90AA1 (0.46) ROCK2SCD5SCD
SCHEMBL23116411 0.86 ROCK2 (0.48) HSD17B10ROCK2SCD5HCRTR1HCRTR2
SCHEMBL22729499 0.85 HSP90AA1 (0.49) SCD5SCD
SCHEMBL22754974 0.84 HSD17B10 (0.46) HSD17B10ROCK2SCD5SCDLMNA
SCHEMBL23116410 0.83 HSP90AA1 (0.52) ROCK2SCD5KDM4EALDH1A1MEN1
SCHEMBL22729779 0.83 ROCK2 (0.43) HSD17B10ROCK2SCD5SCDHCRTR1
SCHEMBL22729510 0.81 CCNC (0.42) ROCK2ALDH1A1NPSR1
SCHEMBL22729753 0.81 CCNC (0.41) HSD17B10ROCK2SCD5LMNAKDM4E

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
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
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 (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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC HSD17B10 1790/4885ROCK2 1789/4885SCD5 1293/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC HSD17B10 1691/4885ROCK2 1789/4885SCD5 1219/4885

“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.