SCHEMBL23116404

SCHEMBL23116404

COc1cccc(C2CCCCN2C(=O)c2cn(C)c3c(C)cn(C)c(=O)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.49
GPBAR1 Q8TDU6 1/20 0.45
SCD5 Q86SK9 2/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CHRNA7 P36544 1/20 0.39

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
SCHEMBL23116411 0.97 ROCK2 (0.48) ROCK2GPBAR1SCD5HCRTR1HCRTR2
SCHEMBL23116377 0.89 HSD17B10 (0.48) ROCK2SCD5HCRTR1HCRTR2HSD17B10
SCHEMBL22729509 0.87 HSP90AA1 (0.46) ROCK2GPBAR1SCD5
SCHEMBL22754965 0.86 HSD17B10 (0.51) ROCK2SCD5HCRTR1HCRTR2HSD17B10
SCHEMBL22729499 0.84 HSP90AA1 (0.49) SCD5
SCHEMBL22729681 0.82 RIPK1 (0.42) ROCK2SCD5HCRTR1HCRTR2
SCHEMBL29839310 0.82 RIPK1 (0.42) ROCK2SCD5HCRTR1HCRTR2
SCHEMBL23116410 0.82 HSP90AA1 (0.52) ROCK2GPBAR1SCD5HCRTR1HCRTR2
SCHEMBL22729659 0.81 ROCK2 (0.39) ROCK2SCD5HCRTR1HCRTR2HSD17B10
SCHEMBL22729502 0.80 RIPK1 (0.47) SCD5HCRTR1HCRTR2HSD17B10

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 ROCK2 1789/4885GPBAR1 1959/4885SCD5 1293/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ROCK2 1789/4885GPBAR1 2000/4885SCD5 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.