SCHEMBL22729679

SCHEMBL22729679

Cc1cn(C)c(=O)c2c(C(=O)N3CC(Cc4ccccc4)C3)cn(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
MAPK14 Q16539 4/20 0.46
HTR2B P41595 2/20 0.46
SCD5 Q86SK9 5/20 0.43
SCD O00767 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
TACR3 P29371 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL22729812 0.92 CYP2C9 (0.54) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL22729723 0.90 CYP2C9 (0.47) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL22729693 0.89 CYP2C9 (0.61) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL22729710 0.85 ALDH1A1 (0.41) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL22729580 0.83 SPR (0.41) SCD5SCDALDH1A1HSD17B10KDM4E
SCHEMBL22729463 0.83 SCD (0.41) SCD5SCDALDH1A1HSD17B10KDM4E
SCHEMBL22729610 0.80 ALDH1A1 (0.41) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL22729683 0.79 SCD5 (0.45) CYP2C9CYP2C19MAPK14HTR2BSCD5
SCHEMBL22729854 0.79 GRIN2D (0.46) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL22729535 0.78 ALDH1A1 (0.45) CYP2C9CYP2C19ALDH1A1HSD17B10KDM4E

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 CYP2C9 4675/4885CYP2C19 4072/4885MAPK14 1506/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CYP2C9 4642/4885CYP2C19 3977/4885MAPK14 1556/4885

“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.