SCHEMBL677674

SCHEMBL677674

CC(=O)N1CN(C)C(=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 8/20 0.60
▸ CES1 P23141 2/20 0.47
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B3 P37058 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL12043687 0.80 NOTUM (0.55) NOTUMCES1CYP2D6CYP2C9TRPA1
SCHEMBL9545365 0.79 NOTUM (0.51) NOTUMCES1CYP2D6CYP2C9TRPA1
SCHEMBL6362382 0.78 CES1 (0.48) CES1LMNATTRMAPTKDM4E
SCHEMBL1048074 0.75 NOTUM (1.00) NOTUMCES1CYP2D6CYP2C9RAB9A
SCHEMBL30003296 0.75 NOTUM (1.00) NOTUMCES1CYP2D6CYP2C9RAB9A
SCHEMBL9545463 0.72 NOTUM (0.44) NOTUMCES1CYP2D6CYP2C9TRPA1
SCHEMBL68594 0.71 NOTUM (0.72) NOTUMCYP2D6CYP2C9RAB9AHSD17B3
SCHEMBL6362589 0.71 CES1 (0.44) CES1NPC1RAB9ALMNATTR
SCHEMBL6366637 0.71 NPC1 (0.46) CES1NPC1RAB9ABRD4LMNA
SCHEMBL13024432 0.71 CES1 (0.48) CES1LMNATTRMAPTKMT2A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11160785-B2 Methods and compositions for improving cognitive function AGENEBIO INC. (US) 2021-11-02 — — US disclosed
US-20180015109-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2018-01-18 — — US disclosed
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION AGENEBIO, INC. 2016-09-22 — — US disclosed
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION AGENEBIO, INC. 2016-09-22 — — US disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 — — US disclosed
US-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-01 — — US disclosed
US-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-01 — — US disclosed
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-03 — — US disclosed
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-03 — — US disclosed
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-01 — — US disclosed
US-20070021397-A1 Neurocyte protective agent EISAI CO., LTD. (JP) 2007-01-25 — — US disclosed
WO-2006107859-A2 DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA EISAI CO., LTD. (JP) 2006-10-12 — — WO disclosed
WO-2006107860-A2 DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES EISAI CO., LTD. (JP) 2006-10-12 — — WO disclosed
US-20060172992-A1 Therapeutic agent for overactive bladder resulting from cerebral infarction EISAI CO., LTD. (JP) 2006-08-03 — — US disclosed
US-20060172992-A1 Therapeutic agent for overactive bladder resulting from cerebral infarction EISAI CO., LTD. (JP) 2006-08-03 — — US disclosed
US-20060135507-A1 Therapeutic agent for overactive bladder involved in aging EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-06-22 — — US disclosed
US-20060135507-A1 Therapeutic agent for overactive bladder involved in aging EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-06-22 — — US disclosed
WO-2005087226-A1 CADASIL TREATMENT WITH CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2005-09-22 — — WO disclosed
WO-2003092606-A2 CHOLINESTERASE INHIBITORS TO PREVENT INJURIES CAUSED BY CHEMICALS EISAI CO., LTD. (JP) 2003-11-13 — — WO disclosed
WO-2003024450-A1 METHODS FOR TREATING PRION DISEASES EISAI CO., LTD. (JP) 2003-03-27 — — 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 (10 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 NOTUM 2781/4885CES1 2253/4885CYP2D6 4629/4885
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain ACHE, CHRNA5, CHRNA2 NOTUM 569/4885CES1 238/4885CYP2D6 1728/4885
US-20070021397-A1 Neurocyte protective agent CHAT, GAP43, NES NOTUM 988/4885CES1 1080/4885CYP2D6 4478/4885
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE2, BACE1, GRIN2A NOTUM 3174/4885CES1 1013/4885CYP2D6 2032/4885
US-20060135507-A1 Therapeutic agent for overactive bladder involved in aging ACHE, BPHL, GLA NOTUM 622/4885CES1 2026/4885CYP2D6 2748/4885
US-11160785-B2 Methods and compositions for improving cognitive function BACE2, BACE1, GRIN2A NOTUM 3174/4885CES1 1013/4885CYP2D6 2032/4885
US-20180015109-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE NOTUM 2287/4885CES1 688/4885CYP2D6 1808/4885
US-20060172992-A1 Therapeutic agent for overactive bladder resulting from cerebral infarction ACHE, CHAT, BCHE NOTUM 975/4885CES1 2300/4885CYP2D6 3019/4885
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors PSEN1, BACE1, PSENEN NOTUM 1921/4885CES1 1334/4885CYP2D6 4052/4885
US-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE NOTUM 2287/4885CES1 688/4885CYP2D6 1808/4885

“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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