SCHEMBL5218110

SCHEMBL5218110

O=C(/C=C/N1CCC[C@H]1CN1CCCC1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.43
KCNH2 Q12809 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 6/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
GAA P10253 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
TP53 P04637 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
SCHEMBL5958271 0.79 HRH3 (0.40) KCNH2HRH3GPR52
SCHEMBL5225214 0.77 HRH3 (0.44) ALDH1A1KCNH2HRH3GPR52
SCHEMBL5218209 0.77 HRH3 (0.56) MEN1KMT2AALDH1A1KCNH2SMN1; SMN2
SCHEMBL5218173 0.77 HRH3 (0.43) KMT2AALDH1A1KCNH2HRH3LMNA
SCHEMBL5221259 0.76 HRH3 (0.55) ALDH1A1KCNH2HRH3MAPTTP53
SCHEMBL5220645 0.76 HRH3 (0.44) ALDH1A1KCNH2HRH3
SCHEMBL5222144 0.76 NPC1 (0.46) ALDH1A1KCNH2HRH3LMNAMAPT
SCHEMBL5216163 0.76 NPC1 (0.46) ALDH1A1KCNH2HRH3LMNAMAPT
SCHEMBL5218926 0.76 HRH3 (0.57) MEN1KMT2AKCNH2HRH3MAPT
SCHEMBL5216534 0.76 HRH3 (0.57) MEN1KMT2AKCNH2HRH3MAPT

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 5 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
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 WO 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 MEN1 3755/4885KMT2A 441/4885ALDH1A1 2049/4885

“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.