SCHEMBL22729815

SCHEMBL22729815

Cc1cn(C)c(=O)c2c(C(=O)N3CCC4(c5cccc(Cl)c5)C(C3)C4(F)F)cn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MGLL Q99685 3/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL22729755 0.91 MGLL (0.39) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL29839357 0.91 MGLL (0.39) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22729448 0.90 MGLL (0.46) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22729555 0.90 MGLL (0.38) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL29839308 0.88 ALDH1A1 (0.38) ALDH1A1HPGDMGLLLMNAHSD17B10
SCHEMBL22729433 0.88 ALDH1A1 (0.38) ALDH1A1HPGDMGLLLMNAHSD17B10
SCHEMBL22729548 0.87 MGLL (0.39) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22729619 0.86 MGLL (0.39) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL29839296 0.86 MGLL (0.39) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2
SCHEMBL22754892 0.86 MGLL (0.38) ALDH1A1HPGDMAPTNPSR1SMN1; SMN2

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 ALDH1A1 2626/4885HPGD 1589/4885MAPT 356/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885HPGD 1502/4885MAPT 364/4885

“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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