SCHEMBL3355202

SCHEMBL3355202

CN1CCC(n2ncc3cc([N+](=O)[O-])ccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.50
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1F P30939 1/20 0.44
ACHE P22303 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
ALOX15 P16050 1/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCD O00767 1/20 0.40
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
KCNH2 Q12809 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
CYP19A1 P11511 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
SCHEMBL29377201 1.00 GLS (0.50) GLSHTR1AHTR1BHTR1FACHE
SCHEMBL3356604 0.90 HTR1A (0.52) GLSHTR1AHTR1BHTR1FACHE
SCHEMBL14910335 0.90 GLS (0.53) GLSGPR119ALDH1A1MAPTNPC1
SCHEMBL31304459 0.90 GLS (0.53) GLSGPR119ALDH1A1MAPTNPC1
SCHEMBL3350441 0.87 GLS (0.48) GLSHTR1AGPR119PKMALDH1A1
SCHEMBL15910780 0.87 GLS (0.51) GLSACHEPKMALDH1A1MAPT
SCHEMBL3355498 0.87 GLS (0.47) GLSGPR119PKMALDH1A1MAPT
SCHEMBL3356648 0.87 GLS (0.44) GLSGPR119ALDH1A1MAPTNPC1
SCHEMBL3357246 0.85 MAPT (0.51) GLSGPR119PKMALDH1A1MAPT
SCHEMBL3354657 0.85 GLS (0.49) GLSALOX15PKMALDH1A1MAPT

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-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2024-02-08 US disclosed
CN-116322683-A Compounds as C5AR inhibitors 科越医药(苏州)有限公司 2023-06-23 CN disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 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 (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-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS C5AR1, C5AR2, C3AR1 GLS 2551/4885HTR1A 687/4885HTR1B 356/4885

“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.