SCHEMBL5217326

SCHEMBL5217326

COc1ccc(C(=O)/C=C/N2CCC[C@H]2CN2CCCC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
LMNA P02545 4/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 2/20 0.61
USP2 O75604 1/20 0.61
MAPK1 P28482 1/20 0.61
KDM2B Q8NHM5 1/20 0.47
ABCG2 Q9UNQ0 4/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
TNFRSF1A P19438 2/20 0.43
ABCB1 P08183 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5958480 0.99 MAPT (0.63) MAPTLMNAALDH1A1NPC1USP2
SCHEMBL5221318 0.86 HRH3 (0.52) MAPTLMNAALDH1A1USP2KDM2B
SCHEMBL5224167 0.85 HRH3 (0.51) MAPTLMNAALDH1A1NPC1USP2
SCHEMBL5219025 0.84 HRH3 (0.52) MAPTLMNAALDH1A1NPC1MAPK1
SCHEMBL5223521 0.84 HRH3 (0.49) MAPTLMNAALDH1A1USP2KDM2B
SCHEMBL5218921 0.83 MAPT (0.56) MAPTLMNAALDH1A1NPC1USP2
SCHEMBL5224436 0.81 ABCG2 (0.47) MAPTLMNAALDH1A1NPC1MAPK1
SCHEMBL5220645 0.80 HRH3 (0.44) ALDH1A1TNFRSF1AKDM4E
SCHEMBL5216163 0.80 NPC1 (0.46) MAPTLMNAALDH1A1NPC1USP2
SCHEMBL5222144 0.80 NPC1 (0.46) MAPTLMNAALDH1A1NPC1USP2

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 MAPT 3405/4885LMNA 4498/4885ALDH1A1 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.