SCHEMBL22729656

SCHEMBL22729656

Cc1cn(C)c(=O)c2c(C(=O)N3CCCCC3Cc3ccccc3)cn(C)c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
DAGLA Q9Y4D2 9/20 0.46
HCRTR1 O43613 4/20 0.44
HCRTR2 O43614 4/20 0.44
CYP3A4 P08684 3/20 0.44
ABHD6 Q9BV23 6/20 0.43
HSD11B1 P28845 1/20 0.42
SCD5 Q86SK9 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
DAGLB Q8NCG7 4/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL22729683 0.97 SCD5 (0.45) TP53DAGLAHCRTR1HCRTR2CYP3A4
SCHEMBL22754864 0.84 GABRA1 (0.46) TP53DAGLAHCRTR1HCRTR2CYP3A4
SCHEMBL22729509 0.83 HSP90AA1 (0.46) TP53HSD11B1SCD5
SCHEMBL22729693 0.81 CYP2C9 (0.61) MEN1KMT2ACYP2C9CYP2C19HTR2B
SCHEMBL22729499 0.80 HSP90AA1 (0.49) SCD5
SCHEMBL22729723 0.80 CYP2C9 (0.47) HCRTR1HSD11B1CYP2C9CYP2C19HTR2B
SCHEMBL22729812 0.79 CYP2C9 (0.54) CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL22729679 0.79 CYP2C9 (0.46) SCD5CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL22729502 0.77 RIPK1 (0.47) HCRTR1HCRTR2SCD5
SCHEMBL23116410 0.76 HSP90AA1 (0.52) TP53HCRTR1HCRTR2HSD11B1SCD5

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-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
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC TP53 3839/4885DAGLA 292/4885HCRTR1 1114/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC TP53 3876/4885DAGLA 284/4885HCRTR1 1069/4885

“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.