SCHEMBL22729665

SCHEMBL22729665

Cc1cn(C)c(=O)c2c(C(=O)N[C@H]3CC[C@@H](c4ccccc4)CC3)nn(C)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.47
LIPG Q9Y5X9 15/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
RIPK1 Q13546 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL22729722 1.00 KAT2B (0.47) KAT2BLIPGALDH1A1MEN1CYP1A2
SCHEMBL22729667 1.00 KAT2B (0.47) KAT2BLIPGALDH1A1MEN1CYP1A2
SCHEMBL22729793 0.84 ALDH1A1 (0.55) KAT2BALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL22729682 0.82 LIPG (0.53) LIPGALDH1A1L3MBTL1
SCHEMBL22729729 0.77 CNR2 (0.41) KAT2BALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL22729726 0.77 CNR2 (0.41) KAT2BALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL22729680 0.74 LIPG (0.43) LIPGALDH1A1KMT2ACNR1CNR2
Hydrochloric Acid SCHEMBL22729563 0.71 KDM4E (0.36) ALDH1A1MEN1KMT2A
SCHEMBL22729690 0.71 LIPG (0.45) LIPGALDH1A1RIPK1CNR1CNR2
SCHEMBL22729628 0.69 BRD4 (0.38) ALDH1A1CYP1A2CYP2C9KMT2AL3MBTL1

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 KAT2B 592/4885LIPG 147/4885ALDH1A1 2626/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KAT2B 591/4885LIPG 148/4885ALDH1A1 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.