SCHEMBL7904941

SCHEMBL7904941

C[C@@H](c1cccc(OC(=O)N(C)[C@@H](C)Cc2ccccc2)c1)N(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 1.00
BCHE P06276 11/20 1.00
FAAH O00519 1/20 0.62
MARK4 Q96L34 1/20 0.58
NPY5R Q15761 3/20 0.48
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL533689 1.00 ACHE (1.00) ACHEBCHEFAAHMARK4NPY5R
SCHEMBL533690 1.00 ACHE (1.00) ACHEBCHEFAAHMARK4NPY5R
SCHEMBL12557213 1.00 ACHE (1.00) ACHEBCHEFAAHMARK4NPY5R
Sulfuric Acid SCHEMBL533722 0.96 ACHE (0.91) ACHEBCHEFAAHMARK4NPY5R
Succinic Acid SCHEMBL533895 0.96 ACHE (0.91) ACHEBCHEFAAHMARK4NPY5R
Fumaric Acid SCHEMBL533727 0.94 ACHE (0.89) ACHEBCHEFAAHMARK4NPY5R
Fumaric Acid SCHEMBL533726 0.94 ACHE (0.89) ACHEBCHEFAAHMARK4NPY5R
SCHEMBL12798745 0.85 ACHE (0.74) ACHEBCHEFAAHMARK4MAOA
SCHEMBL12208521 0.85 ACHE (0.74) ACHEBCHEFAAHMARK4NPY5R
SCHEMBL12208527 0.84 ACHE (0.72) ACHEBCHEFAAHMARK4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251175-A1 Stigmine Conjugates for Substance Use Disorders COLUCID PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110251175-A1 Stigmine Conjugates for Substance Use Disorders COLUCID PHARMACEUTICALS, INC. 2011-10-13 US disclosed
WO-2010115124-A2 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 WO disclosed
US-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2010009316-A1 STIGMINE CONJUGATES FOR SUBSTANCE USE DISORDERS COLUCID PHARMACEUTICALS, INC. (US) 2010-01-21 WO disclosed
US-20090048229-A1 Methods for promoting wakefulness COLUCID PHARMACEUTICALS, INC. 2009-02-19 US disclosed
US-20090048229-A1 Methods for promoting wakefulness COLUCID PHARMACEUTICALS, INC. 2009-02-19 US disclosed
WO-2009011901-A2 METHODS FOR PROMOTING WAKEFULNESS COLUCID PHARMACEUTICALS, INC. (US) 2009-01-22 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 (3 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-20110251175-A1 Stigmine Conjugates for Substance Use Disorders TACR2, NPSR1, TACR3 ACHE 44/4885BCHE 71/4885FAAH 164/4885
US-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS ACHE, BCHE, CES1 ACHE 1/4885BCHE 2/4885FAAH 146/4885
US-20090048229-A1 Methods for promoting wakefulness HCRTR2, HCRTR1, CHAT ACHE 107/4885BCHE 85/4885FAAH 41/4885

“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.