SCHEMBL6712801

SCHEMBL6712801

CC(=O)Nc1ccc(OCCC(c2ccc(OC(=O)N(C)C)cc2)N(C)C(=O)O)cc1.CN(C)C(=O)Oc1ccc(C(CCOc2ccc(N)cc2)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.40
SLC6A4 P31645 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.34
NPR3 P17342 1/20 0.34

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
SCHEMBL3863973 0.89 ACHE (0.45) ACHESLC6A4TDP1
SCHEMBL3870423 0.89 NPSR1 (0.60) NPSR1ACHESLC6A4KMT2AMEN1
SCHEMBL4169714 0.87 NPSR1 (0.38) NPSR1ACHESLC6A4KMT2AMEN1
SCHEMBL3874786 0.79 ACHE (0.40) ACHESLC6A4
SCHEMBL3864605 0.79 NPSR1 (0.48) NPSR1ACHESLC6A4KMT2AMEN1
SCHEMBL6712804 0.79 NPSR1 (0.36) NPSR1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3863979 0.76 ACHE (0.37) ACHESLC6A4TDP1
SCHEMBL3867125 0.76 ACHE (0.64) ACHESLC6A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL3866462 0.73 RAB9A (0.47) NPSR1ACHESLC6A4KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3868777 0.72 ACHE (0.67) NPSR1ACHESLC6A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 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-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 NPSR1 864/4885ACHE 1/4885SLC6A4 25/4885

“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.