SCHEMBL12589877

SCHEMBL12589877

C[C@H](Cc1ccccc1)NC(=O)Oc1cccc([C@@H](C)N(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 15/20 1.00
▸ BCHE P06276 13/20 1.00
▸ FAAH O00519 1/20 0.55
▸ MARK4 Q96L34 1/20 0.52
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL7910169 1.00 ACHE (1.00) ACHEBCHEFAAHMARK4NPC1
SCHEMBL12590023 1.00 ACHE (1.00) ACHEBCHEFAAHMARK4NPC1
SCHEMBL7897597 1.00 ACHE (1.00) ACHEBCHEFAAHMARK4NPC1
SCHEMBL18138876 0.82 ACHE (0.75) ACHEBCHEFAAHMARK4
SCHEMBL23130335 0.82 BCHE (0.68) ACHEBCHENPC1RAB9AALDH1A1
SCHEMBL12590098 0.81 ACHE (0.69) ACHEBCHEFAAHNPC1RAB9A
SCHEMBL533689 0.80 ACHE (1.00) ACHEBCHEFAAHMARK4
SCHEMBL12557213 0.80 ACHE (1.00) ACHEBCHEFAAHMARK4
SCHEMBL533690 0.80 ACHE (1.00) ACHEBCHEFAAHMARK4
SCHEMBL7904941 0.80 ACHE (1.00) ACHEBCHEFAAHMARK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144177-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents COLUCID PHARMACEUTICALS, INC. 2011-06-16 — — US disclosed
EP-2314571-A2 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents CoLucid Pharmaceuticals, Inc. (US) 2011-04-27 — — EP disclosed
US-7897639-B2 Amine group that, upon hydrolysis, becomes a component of a pharmacologically active agent for treatment of nervous system disordres COLUCID PHARMACEUTICALS, INC. (US) 2011-03-01 — — US disclosed
US-7897639-B2 Amine group that, upon hydrolysis, becomes a component of a pharmacologically active agent for treatment of nervous system disordres COLUCID PHARMACEUTICALS, INC. (US) 2011-03-01 — — US disclosed
US-7795307-B2 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents COLUCID PHARMACEUTICALS, INC. (US) 2010-09-14 — — US disclosed
US-7795307-B2 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents COLUCID PHARMACEUTICALS, INC. (US) 2010-09-14 — — US disclosed
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents SENTION, INC. 2007-11-29 — — US disclosed
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents SENTION, INC. 2007-11-29 — — 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 (2 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-20110144177-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents ACHE, BCHE, CHAT ACHE 1/4885BCHE 2/4885FAAH 83/4885
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents ACHE, BCHE, CHAT ACHE 1/4885BCHE 2/4885FAAH 67/4885

“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.

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