SCHEMBL5221318

SCHEMBL5221318

COc1ccc(C(=O)/C=C/N2CCC[C@H]2CN2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
ALOX12 P18054 1/20 0.49
KDM2B Q8NHM5 3/20 0.47
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
F3 P13726 1/20 0.42

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
SCHEMBL5224167 0.99 HRH3 (0.51) HRH3ALDH1A1MAPTUSP2ALOX12
SCHEMBL5223521 0.98 HRH3 (0.49) HRH3ALDH1A1MAPTUSP2ALOX12
SCHEMBL5219025 0.87 HRH3 (0.52) HRH3ALDH1A1MAPTKDM2BKMT2A
SCHEMBL5220021 0.86 HRH3 (0.59) HRH3KDM2BKMT2A
SCHEMBL5217326 0.86 MAPT (0.61) ALDH1A1MAPTUSP2KDM2BKMT2A
SCHEMBL5958480 0.85 MAPT (0.63) ALDH1A1MAPTUSP2KDM2BKMT2A
SCHEMBL5215698 0.85 HRH3 (0.58) HRH3ALDH1A1KDM2BKMT2APOLB
SCHEMBL5218106 0.85 HRH3 (0.58) HRH3ALDH1A1KDM2BKMT2APOLB
SCHEMBL5222144 0.85 NPC1 (0.46) HRH3ALDH1A1MAPTUSP2ALOX12
SCHEMBL5220645 0.85 HRH3 (0.44) HRH3ALDH1A1KDM4E

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 1/4885ALDH1A1 2049/4885MAPT 3405/4885

“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.