SCHEMBL22729597

SCHEMBL22729597

Cn1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2c(=O)n(CC(F)(F)F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.49
▸ MAPK1 P28482 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPT P10636 6/20 0.45
▸ LMNA P02545 4/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ PDE7A Q13946 6/20 0.43
▸ ATM Q13315 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ PDE4A P27815 3/20 0.42
▸ PDE4B Q07343 1/20 0.42

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
SCHEMBL22729668 0.85 PDE10A (0.47) PDE10AMAPK1NPC1RAB9ATP53
SCHEMBL22754945 0.81 PDE10A (0.45) PDE10AMAPK1NPC1RAB9ATP53
SCHEMBL22729398 0.80 UGCG (0.53) PDE10ANPC1RAB9AMAPTUSP2
SCHEMBL29839386 0.80 UGCG (0.53) PDE10ANPC1RAB9AMAPTUSP2
SCHEMBL22729759 0.76 PKM (0.51) PDE10AMAPK1NPC1RAB9ATP53
SCHEMBL22729649 0.76 KMT2A (0.54) PDE10AMAPK1NPC1RAB9ATP53
SCHEMBL29839305 0.76 KMT2A (0.54) PDE10AMAPK1NPC1RAB9ATP53
SCHEMBL22729507 0.75 PDE10A (0.49) PDE10ANPC1RAB9ATP53PKM
SCHEMBL22729551 0.74 MAPT (0.51) PDE10AMAPK1NPC1RAB9ATP53
SCHEMBL22729814 0.73 PKM (0.55) PDE10AMAPK1NPC1RAB9ATP53

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 PDE10A 638/4885MAPK1 1029/4885NPC1 52/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PDE10A 636/4885MAPK1 1057/4885NPC1 53/4885

“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.

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