SCHEMBL29839359

SCHEMBL29839359

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4ccc5ccccc5c4)C3)cn(C)c12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.37
▸ SLC6A4 P31645 6/20 0.37
▸ SLC6A3 Q01959 6/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ MGLL Q99685 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ KDM4E B2RXH2 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 1/20 0.33
▸ OPRM1 P35372 1/20 0.33

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
SCHEMBL22729863 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6MGLL
SCHEMBL22729801 0.88 MGLL (0.47) SLC6A2SLC6A4SLC6A3MGLLALDH1A1
SCHEMBL22729492 0.87 MGLL (0.40) MGLLALDH1A1HPGDMAPTNPSR1
SCHEMBL29839364 0.87 MGLL (0.40) MGLLALDH1A1HPGDMAPTNPSR1
SCHEMBL22729791 0.87 GRIN2B (0.39) SLC6A2SLC6A4SLC6A3MGLLALDH1A1
SCHEMBL22729482 0.86 MGLL (0.39) MGLL
SCHEMBL29839395 0.86 MGLL (0.39) MGLL
SCHEMBL22729747 0.86 MGLL (0.39) MGLL
SCHEMBL22729578 0.86 MGLL (0.39) MGLL
SCHEMBL22755297 0.86 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6MGLL

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 SLC6A2 601/4885SLC6A4 3242/4885SLC6A3 467/4885

“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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