SCHEMBL22729668

SCHEMBL22729668

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 8/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL22729597 0.85 PDE10A (0.49) PDE10ANPC1RAB9AMAPK1PKM
SCHEMBL22729759 0.78 PKM (0.51) PDE10ANPC1RAB9AMAPK1PKM
SCHEMBL22729649 0.76 KMT2A (0.54) PDE10ANPC1RAB9AMAPK1PKM
SCHEMBL29839305 0.76 KMT2A (0.54) PDE10ANPC1RAB9AMAPK1PKM
SCHEMBL22729751 0.74 MAPT (0.51) PDE10ANPC1RAB9AMAPK1PKM
SCHEMBL22729507 0.73 PDE10A (0.49) PDE10ANPC1RAB9APKMTP53
SCHEMBL22729398 0.73 UGCG (0.53) PDE10ANPC1RAB9AMAPTGAA
SCHEMBL29839386 0.73 UGCG (0.53) PDE10ANPC1RAB9AMAPTGAA
SCHEMBL22729814 0.73 PKM (0.55) PDE10ANPC1RAB9AMAPK1PKM
SCHEMBL22755385 0.70 NPC1 (0.51) NPC1RAB9AMAPK1TP53MAPT

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 638/4885NPC1 52/4885RAB9A 239/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PDE10A 636/4885NPC1 53/4885RAB9A 239/4885

“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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