SCHEMBL5221259

SCHEMBL5221259

O=C(/C=C/N1CCC[C@H]1CN1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.55
KDM2B Q8NHM5 3/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 2/20 0.39
OPRK1 P41145 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRD1 P41143 1/20 0.39
HIF1A Q16665 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
SCHEMBL5958398 0.99 HRH3 (0.54) HRH3KDM2BTP53MAPTCHRNB2
SCHEMBL5218192 0.98 HRH3 (0.52) HRH3KDM2BTP53MAPTCHRNB2
SCHEMBL5216163 0.88 NPC1 (0.46) HRH3KDM2BTP53MAPTCHRNB2
SCHEMBL5222144 0.88 NPC1 (0.46) HRH3KDM2BTP53MAPTCHRNB2
SCHEMBL5220645 0.88 HRH3 (0.44) HRH3ALDH1A1KCNH2
SCHEMBL5223808 0.87 ALDH1A1 (0.45) HRH3KDM2BTP53MAPTCHRNB2
SCHEMBL5222690 0.87 HRH3 (0.44) HRH3KDM2BKCNH2
SCHEMBL5217126 0.86 KDM2B (0.48) HRH3KDM2BMAPTALDH1A1CYP1A2
SCHEMBL5218209 0.86 HRH3 (0.56) HRH3KDM2BMAPTALDH1A1KCNH2
SCHEMBL5221237 0.85 NPC1 (0.46) HRH3TP53MAPTCHRNB2CHRNA7

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 HRH3 1/4885KDM2B 770/4885TP53 3111/4885

“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.