SCHEMBL17709648

SCHEMBL17709648

Nc1ccc(C(=O)CCC2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
HTR4 Q13639 2/20 0.47
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
ACHE P22303 5/20 0.43
BCHE P06276 2/20 0.43
FAAH O00519 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LDLR P01130 1/20 0.38

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
SCHEMBL11395507 0.84 NPC1 (0.51) KMT2AACHE
SCHEMBL11251566 0.84 KMT2A (0.68) KMT2AITGB3ITGA2BACHEBCHE
SCHEMBL11400510 0.81 TDP1 (0.52) KMT2AHTR4ACHEHDAC3HDAC1
Hydrochloric Acid SCHEMBL9254882 0.80 KMT2A (0.46) KMT2AHTR4ITGB3ITGA2BACHE
Trifluoroacetic Acid SCHEMBL7734277 0.79 KMT2A (0.48) KMT2AITGB3ITGA2BACHEBCHE
Trifluoroacetic Acid SCHEMBL7723271 0.78 KMT2A (0.60) KMT2AITGB3ITGA2BACHEBCHE
SCHEMBL27895732 0.78 LMNA (0.50) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9247289 0.77 HDAC1 (0.48) KMT2AACHEBCHEHDAC1
SCHEMBL13987188 0.77 HTR4 (0.61) HTR4ITGB3ITGA2BACHE
SCHEMBL8132896 0.77 ACHE (0.48) HTR4ITGB3ITGA2BACHEBCHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004058-B1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNESIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME UNIV DE CAEN (FR) 2020-06-10 EP disclosed
CN-105705488-B Compounds of acetylcholinesterase inhibitors and 5-hydroxytryptamine receptor 4 agonists, process for their preparation and pharmaceutical compositions thereof 卡昂大学 2020-03-24 CN disclosed
US-9663465-B2 Acetylcholinesterase inhibitors and promnesiant serotonin 5-HT4 receptor agonists, their methods of preparation and the pharmaceutical compositions containing the same UNIVERSITE DE CAEN (FR) 2017-05-30 US disclosed
US-20160122300-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERSITE DE CAEN (FR) 2016-05-05 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-20160122300-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR4, CHRNA4, CHRNB4 KMT2A 2099/4885HTR4 1/4885ITGB3 2449/4885

“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.