SCHEMBL22729682

SCHEMBL22729682

Cc1cn(C)c(=O)c2c(C(=O)NC3CCC(c4ccccc4)CC3)cn(C)c12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 16/20 0.53
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TNKS O95271 1/20 0.42
TAF1 P21675 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41

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
SCHEMBL22729680 0.91 LIPG (0.43) LIPGALDH1A1TNKSTAF1CECR2
SCHEMBL22729447 0.88 LIPG (0.45) LIPGALDH1A1
SCHEMBL22729449 0.88 LIPG (0.45) LIPGALDH1A1
SCHEMBL22729690 0.88 LIPG (0.45) LIPGALDH1A1
SCHEMBL22729709 0.85 EPHX2 (0.39) LIPGALDH1A1TAF1CECR2BRD9
SCHEMBL22729712 0.85 EPHX2 (0.39) LIPGALDH1A1TAF1CECR2BRD9
SCHEMBL22729552 0.84 TAF1 (0.44) ALDH1A1TAF1CECR2BRD9
SCHEMBL22729800 0.83 ALDH1A1 (0.55) ALDH1A1
SCHEMBL23116402 0.83 EPHX2 (0.44) ALDH1A1TAF1CECR2BRD9
SCHEMBL22729665 0.82 KAT2B (0.47) LIPGALDH1A1L3MBTL1

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 LIPG 147/4885ALDH1A1 2626/4885L3MBTL1 1536/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC LIPG 148/4885ALDH1A1 2660/4885L3MBTL1 1525/4885

“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.