SCHEMBL31270706

SCHEMBL31270706

O=C(O)CCC1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
CHRM4 P08173 1/20 0.48
KHK P50053 3/20 0.47
AKR1C3 P42330 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DGAT1 O75907 1/20 0.42
TSHR P16473 1/20 0.39
AOC3 Q16853 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL25264968 0.87 PDE10A (0.51) PDE10ACHRM4AKR1C3DGAT1GRIN2D
SCHEMBL25192118 0.87 PDE10A (0.51) PDE10ACHRM4AKR1C3DGAT1GRIN2D
SCHEMBL30201637 0.83 CHRM4 (0.46) PDE10ACHRM4KHKAKR1C3NPC1
SCHEMBL2859580 0.79 PDE10A (0.52) PDE10ACHRM4AKR1C3GRIN2DGRIN3B
SCHEMBL3264954 0.79 PDE10A (0.52) PDE10ACHRM4AKR1C3GRIN2DGRIN3B
SCHEMBL2835192 0.79 PDE10A (0.52) PDE10ACHRM4AKR1C3GRIN2DGRIN3B
SCHEMBL25504059 0.78 PDE10A (0.47) PDE10ACHRM4AKR1C3NPC1ALDH1A1
SCHEMBL30441934 0.78 PDE10A (0.47) PDE10ACHRM4AKR1C3NPC1ALDH1A1
SCHEMBL345057 0.77 CHRM4 (0.57) PDE10ACHRM4AKR1C3CHRM2CHRM5
SCHEMBL26134948 0.76 KDM4E (0.65) CHRM4ALDH1A1SMN1; SMN2DGAT1CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570662-B2 Substituted pyrrolo[1,2-b]pyridazines as bifunctional degraders of interleukin-1 receptor-associated kinases NURIX THERAPEUTICS, INC. (US) 2026-03-10 US disclosed
US-20240417402-A1 SUBSTITUTED PYRROLO[1,2-b]PYRIDAZINES AS BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES GILEAD SCIENCES, INC. 2024-12-19 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-12570662-B2 Substituted pyrrolo[1,2-b]pyridazines as bifunctional degraders of interleukin-1 receptor-associated kinases IRAK1, IRAK2, IRAK4 PDE10A 4725/4885CHRM4 3585/4885KHK 2786/4885
US-20240417402-A1 SUBSTITUTED PYRROLO[1,2-b]PYRIDAZINES AS BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES IRAK1, IRAK2, IRAK4 PDE10A 4639/4885CHRM4 4215/4885KHK 2064/4885

“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.