SCHEMBL22729487

SCHEMBL22729487

Cc1cn(C)c(=O)n2c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 3/20 0.43
▸ PROKR1 Q8TCW9 3/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ EPHX2 P34913 3/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL29839399 0.84 CACNB4 (0.43) KCNH2MCHR1EPHX2CNR1ALDH1A1
SCHEMBL22729840 0.84 CACNB4 (0.43) KCNH2MCHR1EPHX2CNR1ALDH1A1
SCHEMBL1806989 0.72 FPR2 (0.49) FPR2PROKR1KCNH2MCHR1EPHX2
SCHEMBL1812104 0.72 NAMPT (0.60) FPR2PROKR1KCNH2MCHR1EPHX2
SCHEMBL23116397 0.72 HRH1 (0.42) FPR2PROKR1KCNH2MCHR1EPHX2
SCHEMBL1812598 0.71 ALDH1A1 (0.56) KCNH2HRH3ALDH1A1HTT
SCHEMBL1807416 0.71 HRH3 (0.50) FPR2PROKR1KCNH2MCHR1EPHX2
SCHEMBL1809457 0.71 EPHX2 (0.47) FPR2PROKR1KCNH2MCHR1EPHX2
SCHEMBL1806280 0.71 PIK3CD (0.51) KCNH2MCHR1EPHX2HRH3CNR1
SCHEMBL1810806 0.70 PROKR1 (0.60) FPR2PROKR1KCNH2MCHR1EPHX2

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 5 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
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 FPR2 3489/4885PROKR1 3517/4885KCNH2 2434/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC FPR2 3302/4885PROKR1 3556/4885KCNH2 2533/4885

“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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