SCHEMBL4177340

SCHEMBL4177340

CCN(C)C(=O)Oc1ccc(C(CCOc2ccc(Cl)cc2)N(C)C(=O)OC(C)(C)C)cc1.CN(C(=O)OC(C)(C)C)C(CCOc1ccc(Cl)cc1)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.42
SLC6A4 P31645 1/20 0.42
BCHE P06276 9/20 0.41
FAAH O00519 1/20 0.39
MARK4 Q96L34 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR88 Q9GZN0 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL3864522 0.91 ACHE (0.48) ACHESLC6A4BCHEFAAHMEN1
SCHEMBL3877461 0.90 MEN1 (0.41) MEN1KMT2ACHRNB2CHRNA4
SCHEMBL3864586 0.81 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL3870281 0.75 ACHE (0.40) ACHEBCHEFAAHMARK4MEN1
SCHEMBL3863973 0.73 ACHE (0.45) ACHESLC6A4BCHECHRNB2CHRNA4
SCHEMBL3874786 0.73 ACHE (0.40) ACHESLC6A4
SCHEMBL3863046 0.73 ACHE (0.45) ACHEBCHE
SCHEMBL3865156 0.72 OPRK1 (0.45) ACHEFAAH
SCHEMBL3870406 0.72 CYP3A4 (0.36) ACHEBCHEFAAH
SCHEMBL3874406 0.72 L3MBTL1 (0.42) MEN1KMT2A

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-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 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-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 ACHE 24/4885SLC6A4 3/4885BCHE 95/4885

“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.