SCHEMBL23116386

SCHEMBL23116386

Cc1cn(C)c(=O)c2c(C(=O)N3CC4CC4(c4ccccc4F)C3)cn(C)c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPT P10636 5/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ MGLL Q99685 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ TSHR P16473 2/20 0.33
▸ TP53 P04637 1/20 0.31
▸ EED O75530 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 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
SCHEMBL29839301 0.92 MGLL (0.41) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL22729560 0.92 MGLL (0.41) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL23116378 0.89 ALDH1A1 (0.36) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL29839291 0.88 DRD3 (0.35) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL22729584 0.88 DRD3 (0.35) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL22729439 0.87 KDM4E (0.35) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL22729600 0.87 ALDH1A1 (0.39) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL29839324 0.87 ALDH1A1 (0.39) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL29839348 0.87 KDM4E (0.35) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL22729581 0.87 HCRTR1 (0.36) ALDH1A1MAPTHSD17B10HPGDKDM4E

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
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — 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 (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 356/4885HSD17B10 1790/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885MAPT 364/4885HSD17B10 1691/4885

“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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