SCHEMBL29839291

SCHEMBL29839291

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4ccccc4C(F)(F)F)C3)cn(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ MGLL Q99685 5/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ HPGD P15428 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ P2RX7 Q99572 2/20 0.31
▸ GBA1 P04062 1/20 0.31

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
SCHEMBL22729584 1.00 DRD3 (0.35) DRD3KCNH2MAPTTP53ALDH1A1
SCHEMBL22729560 0.89 MGLL (0.41) MAPTTP53ALDH1A1MGLLHSD17B10
SCHEMBL29839301 0.89 MGLL (0.41) MAPTTP53ALDH1A1MGLLHSD17B10
SCHEMBL23116386 0.88 ALDH1A1 (0.34) MAPTTP53ALDH1A1MGLLHSD17B10
SCHEMBL22729581 0.88 HCRTR1 (0.36) MAPTTP53ALDH1A1MGLLHSD17B10
SCHEMBL29839404 0.88 HCRTR1 (0.36) MAPTTP53ALDH1A1MGLLHSD17B10
SCHEMBL22755282 0.87 DRD3 (0.34) DRD3KCNH2MAPTTP53MGLL
SCHEMBL23116378 0.86 ALDH1A1 (0.36) MAPTALDH1A1MGLLHSD17B10HPGD
SCHEMBL22729600 0.85 ALDH1A1 (0.39) MAPTTP53ALDH1A1MGLLHSD17B10
SCHEMBL22729439 0.85 KDM4E (0.35) MAPTTP53ALDH1A1MGLLHSD17B10

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC DRD3 3033/4885KCNH2 2533/4885MAPT 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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