SCHEMBL22729774

SCHEMBL22729774

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4cc(Cl)cc(Cl)c4)C3)cn(C)c12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MGLL Q99685 5/20 0.35
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22729799 0.91 MGLL (0.34) ALDH1A1MAPTNPSR1HPGDTSHR
SCHEMBL23116381 0.91 MGLL (0.39) ALDH1A1MAPTNPSR1HPGDTSHR
SCHEMBL29839276 0.91 MGLL (0.39) ALDH1A1MAPTNPSR1HPGDTSHR
SCHEMBL23116391 0.90 MGLL (0.41) ALDH1A1MAPTNPSR1HPGDTSHR
SCHEMBL22729578 0.88 MGLL (0.39) MGLL
SCHEMBL29839395 0.88 MGLL (0.39) MGLL
SCHEMBL22729482 0.88 MGLL (0.39) MGLL
SCHEMBL22729747 0.88 MGLL (0.39) MGLL
SCHEMBL22729801 0.87 MGLL (0.47) ALDH1A1MAPTNPSR1HPGDTSHR
SCHEMBL22755295 0.86 MGLL (0.35) ALDH1A1MAPTNPSR1HPGDTSHR

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 3 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
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 2626/4885MAPT 356/4885NPSR1 2244/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885MAPT 364/4885NPSR1 2338/4885

“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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