SCHEMBL22729640

SCHEMBL22729640

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(Oc4ccncc4)CC3)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 2/20 0.41
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2J2 P51589 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 1/20 0.38
SPR P35270 1/20 0.38
NAMPT P43490 1/20 0.37
F10 P00742 1/20 0.36
MAPK1 P28482 3/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22729528 0.91 EPHX2 (0.42) EPHX2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22729684 0.90 SPR (0.44) EPHX2ALDH1A1HTTKDM4EHSD17B10
SCHEMBL23116376 0.89 KDM4E (0.46) EPHX2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22729452 0.88 ADRB2 (0.42) EPHX2ALDH1A1HTTKDM4EHSD17B10
SCHEMBL23116397 0.88 HRH1 (0.42) EPHX2ALDH1A1HPGDMAPTNPSR1
SCHEMBL22729522 0.87 LIPE (0.45) EPHX2TP53MAPT
SCHEMBL22729777 0.86 MMP13 (0.44) EPHX2TP53
SCHEMBL22754904 0.85 CYP46A1 (0.41) CYP46A1EPHX2ALDH1A1HTTCYP2C9
SCHEMBL22729583 0.85 RBP4 (0.41) EPHX2ALDH1A1HTTCYP2C9CYP2J2
SCHEMBL23116374 0.83 EPHX2 (0.44) EPHX2ALDH1A1HTTKDM4EHSD17B10

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 CYP46A1 958/4885EPHX2 2093/4885ALDH1A1 2626/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CYP46A1 879/4885EPHX2 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.