SCHEMBL5219028

SCHEMBL5219028

COc1cccc(C=CC(=O)N2CCCC2CN2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.62
KCNH2 Q12809 1/20 0.59
CCR2 P41597 1/20 0.47
CCR3 P51677 1/20 0.47
PTGS2 P35354 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 1/20 0.46
FOS P01100 1/20 0.45
JUN P05412 1/20 0.45
MAOB P27338 1/20 0.45
UTS2R Q9UKP6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL14409486 1.00 HRH3 (0.62) HRH3KCNH2CCR2CCR3PTGS2
SCHEMBL14409312 0.87 HRH3 (0.75) HRH3KCNH2PTGS2KMT2AALDH1A1
SCHEMBL5221321 0.87 HRH3 (0.75) HRH3KCNH2PTGS2KMT2AALDH1A1
SCHEMBL14409320 0.87 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL5223516 0.87 HRH3 (0.78) HRH3KCNH2KMT2A
SCHEMBL5224172 0.86 HRH3 (0.74) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL14409347 0.86 HRH3 (0.74) HRH3KCNH2PTGS2ALDH1A1GAA
SCHEMBL5223528 0.85 HRH3 (0.72) HRH3KCNH2PTGS2KMT2AALDH1A1
SCHEMBL14409463 0.85 HRH3 (0.72) HRH3KCNH2PTGS2KMT2AALDH1A1
SCHEMBL5217334 0.84 HRH3 (0.66) HRH3KCNH2CCR2PTGS2KMT2A

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
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-7101898-B2 For therapy of allergic rhinitis, ulcer or anorexia, diabetes, Alzheimer's disease, narcolepsy or attention deficit disorder NOVO NORDISK A/S (DK) 2006-09-05 US disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 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 (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-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 HRH3 1/4885KCNH2 294/4885CCR2 345/4885

“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.