SCHEMBL2800714

SCHEMBL2800714

O=C(CCCCCCc1ccccc1)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 14/20 0.69
FAAH O00519 10/20 0.59
NCEH1 Q6PIU2 2/20 0.59
FAAH2 Q6GMR7 1/20 0.57
MAPT P10636 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
PLA2G4A P47712 1/20 0.57

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
SCHEMBL14057654 0.87 KDM4E (0.63) CES1FAAHMAPT
SCHEMBL3380712 0.85 HDAC1 (0.58) CES1MAPTRXFP1
SCHEMBL2418294 0.83 CTNNB1 (0.55) CES1MAPTRXFP1
SCHEMBL13883837 0.82 CTNNB1 (0.54) CES1
SCHEMBL2161875 0.82 CES1 (1.00) CES1FAAHNCEH1MAPTRXFP1
SCHEMBL2161912 0.81 CES1 (0.65) CES1FAAHNCEH1
SCHEMBL1254915 0.81 LMNA (0.63) FAAH
SCHEMBL6242788 0.81 CTNNB1 (0.53) CES1
SCHEMBL1254914 0.81 LMNA (0.63) FAAH
SCHEMBL9440127 0.81 LMNA (0.63) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-7858611-B2 Neurogenesis by modulating angiotensin BRAINCELLS INC. (US) 2010-12-28 US disclosed
EP-2258357-A2 Neurogenesis with acetylcholinesterase inhibitor Braincells, Inc. (US) 2010-12-08 EP disclosed
EP-2258359-A2 Neurogenesis by muscarinic receptor modulation with sabcomelin Braincells, Inc. (US) 2010-12-08 EP disclosed
EP-2258358-A2 Neurogenesis with acetylcholinesterase inhibitor Braincells, Inc. (US) 2010-12-08 EP disclosed
US-20100216734-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC. (US) 2010-08-26 US disclosed
US-20100216805-A1 MODULATION OF NEUROGENESIS USING D-CYCLOSERINE COMBINATIONS BRAINCELLS, INC. (US) 2010-08-26 US disclosed
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2010-07-22 US disclosed
US-20100120842-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2010-05-13 US disclosed
US-7678363-B2 Methods of treating psychiatric conditions comprising administration of muscarinic agents in combination with SSRIs BRAINCELLS INC (US) 2010-03-16 US disclosed
WO-2007134136-A2 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS, INC. (US) 2007-11-22 WO disclosed
US-20070270449-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2007-11-22 US disclosed
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC (US) 2007-10-18 US disclosed
WO-2007104035-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC. (US) 2007-09-13 WO disclosed
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-09-06 US disclosed
WO-2007053596-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-10 WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 WO disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 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 (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 CES1 2253/4885FAAH 1060/4885NCEH1 751/4885
US-20100120842-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 CES1 2253/4885FAAH 1060/4885NCEH1 751/4885
US-20070270449-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR5A, HTR6, GAP43 CES1 4532/4885FAAH 439/4885NCEH1 1825/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 CES1 3727/4885FAAH 1716/4885NCEH1 493/4885
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS PPARG, PPARA, PPARD CES1 2379/4885FAAH 606/4885NCEH1 1548/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX CES1 3125/4885FAAH 1051/4885NCEH1 1034/4885
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS GAP43, BDNF, DCX CES1 4575/4885FAAH 739/4885NCEH1 2101/4885
US-20100216734-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS GAP43, BDNF, NGF CES1 4327/4885FAAH 477/4885NCEH1 1245/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 CES1 2253/4885FAAH 1060/4885NCEH1 751/4885
US-20100216805-A1 MODULATION OF NEUROGENESIS USING D-CYCLOSERINE COMBINATIONS GAP43, DCX, CHAT CES1 4182/4885FAAH 1413/4885NCEH1 2503/4885

“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.