SCHEMBL23116397

SCHEMBL23116397

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cn(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
CCR3 P51677 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
FPR2 P25090 3/20 0.40
PROKR1 Q8TCW9 3/20 0.40
EPHX2 P34913 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL22729528 0.93 EPHX2 (0.42) HRH1CCR3ALDH1A1HPGDGRIN2D
SCHEMBL23116376 0.91 KDM4E (0.46) ALDH1A1MAPTHPGDSMN1; SMN2EPHX2
SCHEMBL22729452 0.90 ADRB2 (0.42) ALDH1A1HPGDSMN1; SMN2FPR2PROKR1
SCHEMBL22729684 0.90 SPR (0.44) HRH1CCR3ALDH1A1MAPTHPGD
SCHEMBL29839387 0.89 HRH1 (0.51) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL23116424 0.89 HRH1 (0.51) HRH1CCR3FPR2PROKR1KCNH2
SCHEMBL22755115 0.89 TRPA1 (0.48) HRH1CCR3ALDH1A1MAPTHPGD
SCHEMBL29839346 0.89 TRPA1 (0.48) HRH1CCR3ALDH1A1MAPTHPGD
SCHEMBL22729777 0.88 MMP13 (0.44) FPR2PROKR1EPHX2MGLLKCNH2
SCHEMBL22729640 0.88 CYP46A1 (0.41) ALDH1A1MAPTHPGDNPSR1EPHX2

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 HRH1 2169/4885CCR3 4608/4885ALDH1A1 2626/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC HRH1 2145/4885CCR3 4592/4885ALDH1A1 2660/4885

“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.