SCHEMBL22729440

SCHEMBL22729440

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(c4ccc(Cl)cc4)CC3)cn(C)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCR1 P32246 10/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
FASN P49327 2/20 0.42
MGLL Q99685 3/20 0.41
AVPR1A P37288 1/20 0.40

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
SCHEMBL22729758 0.94 PROKR1 (0.53) PROKR1FASNMGLL
SCHEMBL22729626 0.89 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL23116397 0.85 HRH1 (0.42) PROKR1ALDH1A1MAPTHPGDTSHR
SCHEMBL22729772 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL29839360 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL22729510 0.83 CCNC (0.42) PROKR1ALDH1A1MAPTHPGDTSHR
SCHEMBL22729425 0.83 TP53 (0.47) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL22729771 0.79 HTT (0.44) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL22755306 0.79 PROKR1 (0.52) PROKR1FASNMGLLAVPR1A
SCHEMBL22729839 0.79 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTSHRSMN1; 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 PROKR1 3517/4885ALDH1A1 2626/4885MAPT 356/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC PROKR1 3556/4885ALDH1A1 2660/4885MAPT 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.