SCHEMBL22729583

SCHEMBL22729583

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(Oc4ncccn4)CC3)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.41
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2J2 P51589 2/20 0.38
MAPK1 P28482 3/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCD O00767 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
SCHEMBL29839302 0.88 RIPK1 (0.47) RBP4EPHX2ALDH1A1HSD17B10KDM4E
SCHEMBL22729426 0.88 RIPK1 (0.47) RBP4EPHX2ALDH1A1HSD17B10KDM4E
SCHEMBL22755322 0.85 EPHX2 (0.37) RBP4EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL22729640 0.85 CYP46A1 (0.41) EPHX2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL22729684 0.84 SPR (0.44) EPHX2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL23116383 0.84 GAA (0.38) RBP4ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL22729699 0.84 NAAA (0.43) EPHX2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL22729839 0.84 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL22729412 0.84 SCD (0.50) RBP4EPHX2ALDH1A1HSD17B10KDM4E
SCHEMBL22729528 0.83 EPHX2 (0.42) EPHX2ALDH1A1HSD17B10KDM4EHPGD

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 RBP4 4461/4885EPHX2 2093/4885ALDH1A1 2626/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC RBP4 4489/4885EPHX2 2011/4885ALDH1A1 2660/4885

“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.