SCHEMBL3458221

SCHEMBL3458221

C[C@H](Cc1ccccc1)N(Cc1cccc([C@H](C)N(C)C)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.59
BCHE P06276 10/20 0.59
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
HPGD P15428 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
FAAH O00519 1/20 0.41
MARK4 Q96L34 1/20 0.40

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
SCHEMBL3945832 0.77 ACHE (0.50) ACHEBCHEFAAHMARK4
SCHEMBL2800673 0.77 ACHE (0.50) ACHEBCHEFAAHMARK4
SCHEMBL5914311 0.75 MEN1 (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL533690 0.74 ACHE (1.00) ACHEBCHEFAAHMARK4
SCHEMBL7904941 0.74 ACHE (1.00) ACHEBCHEFAAHMARK4
SCHEMBL533689 0.74 ACHE (1.00) ACHEBCHEFAAHMARK4
SCHEMBL12557213 0.74 ACHE (1.00) ACHEBCHEFAAHMARK4
Hydrochloric Acid SCHEMBL1665699 0.74 MEN1 (0.46) ACHEBCHEADRA2BADRA2CSLC6A2
SCHEMBL12208527 0.73 ACHE (0.72) ACHEBCHEFAAHMARK4
SCHEMBL16103423 0.73 ACHE (0.48) ACHEBCHEHPGDMEN1KMT2A

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-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS ACHE, BCHE, CES1 ACHE 1/4885BCHE 2/4885ADRA2B 2911/4885

“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.