SCHEMBL5224436

SCHEMBL5224436

COc1ccc(C(=O)/C=C/N2CCC[C@H]2CN2CCCC2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.47
MAPT P10636 4/20 0.46
TNFRSF1A P19438 1/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL5221318 0.84 HRH3 (0.52) MAPTALDH1A1LMNAHTTHRH3
SCHEMBL5224167 0.83 HRH3 (0.51) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL5219025 0.82 HRH3 (0.52) ABCG2MAPTMAPK1ALDH1A1LMNA
SCHEMBL5223521 0.82 HRH3 (0.49) MAPTALDH1A1LMNAHTTHRH3
SCHEMBL5217326 0.81 MAPT (0.61) ABCG2MAPTTNFRSF1AMAPK1ALDH1A1
SCHEMBL5958480 0.80 MAPT (0.63) ABCG2MAPTTNFRSF1AMAPK1ALDH1A1
SCHEMBL5216873 0.75 DRD2 (0.44) ALDH1A1LMNASMN1; SMN2HRH3MEN1
SCHEMBL5225227 0.75 HRH3 (0.38) MAPTLMNAHRH3KDM2B
SCHEMBL6623820 0.75 HRH3 (0.38) MAPTLMNAHRH3KDM2B
SCHEMBL2829559 0.74 KDM2B (0.55) ABCG2MAPTTNFRSF1AMAPK1ALDH1A1

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 ABCG2 443/4885MAPT 3405/4885TNFRSF1A 966/4885

“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.