SCHEMBL2336595

SCHEMBL2336595

[CH2]COC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
AOC3 Q16853 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SLC7A5 Q01650 1/20 0.38

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
SCHEMBL14607854 0.78 IDO1 (0.53) IDO1TDO2AOC3SLC7A5
SCHEMBL14528136 0.78 IDO1 (0.45) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL2336423 0.75 IDO1 (0.52) IDO1TDO2
SCHEMBL1505811 0.74 SCN1A (0.50)
SCHEMBL14607856 0.74 IDO1 (0.45) IDO1TDO2AOC3
SCHEMBL14528133 0.74 IDO1 (0.61) IDO1TDO2
SCHEMBL14607959 0.74 IDO1 (0.57) IDO1TDO2
SCHEMBL792133 0.74 IDO1 (0.56) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL5540257 0.73 IDO1 (0.51) IDO1TDO2AOC3HDAC4HDAC7
SCHEMBL10335030 0.72 HDAC4 (0.46) IDO1TDO2AOC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003632-B2 administerine tacrine, a tacrine analog, fasciculin, metrifonate, heptyl-physostigmine, norpyridostigmine, norneostigmine, huperzine A or an analogue, physostigmine, heptyl-physostigmine etc. free of galantamine to reduce the level of a proinflammatory cytokine THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2011-08-23 US disclosed
US-20080070901-A1 Cholineterase inhibitors for treating inflammation THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH 2008-03-20 US disclosed
US-20050222123-A1 Cholinesterase inhibitors for treating inflammation NORTH SHORE-LONG ISLAND JEWISH RESEARCH INSTITUTE (US) 2005-10-06 US disclosed
WO-2005072713-A2 CHOLINESTERASE INHIBITORS FOR TREATING INFLAMMATION THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2005-08-11 WO disclosed
US-6248750-B1 CHOLINERGIC FUNCTION AGONISTS FOR MEMORY ENHANCEMENT HOECHST ROUSSEL PHARMACEUTICALS 2001-06-19 US disclosed
US-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US disclosed
US-5401749-A Memory enhancers, cholinergic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-03-28 US disclosed
US-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed
US-5389629-A Increase cholinergic function HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-02-14 US disclosed
EP-0278499-B1 9-Amino-1,4-ethano-1,2,3,4-tetrahydroacridine and related compounds, intermediates and a process for the preparation thereof and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-09-28 EP disclosed
US-4806646-A Substituted 9-amino-spiro[cycloalkyl[B]quinoline-2,1'cycloalkanes] HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-02-21 US disclosed
EP-0288852-A1 9-Hydroxyamino tetrahydro-acridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-11-02 EP disclosed
EP-0287977-A2 Fused heteroalkylene quinolinamines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-10-26 EP disclosed
EP-0285018-A2 Substituted 9-Amino-Spiro [cycloalkyl[b]quinoline-2,1'cycloalkanes], a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-10-05 EP disclosed
EP-0282959-A2 Substituted 9-amino-tetrahydro-acridines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-09-21 EP disclosed
EP-0278499-A2 9-Amino-1,4-ethano-1,2,3,4-tetrahydroacridine and related compounds, intermediates and a process for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-08-17 EP disclosed
US-4762841-A Substituted 9-amino-spiro(cycloalkyl(b)quinoline-2,1'cycloalkanes) HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-08-09 US disclosed
US-4754050-A COGNITION ACTIVATORS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-28 US disclosed
US-4695573-A COGNITION ACTIVATORS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-09-22 US disclosed
EP-0179383-A2 9-Amino-1,2,3,4-tetrahydroacridin-1-ol and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-04-30 EP 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-20080070901-A1 Cholineterase inhibitors for treating inflammation ACHE, BCHE, CHAT IDO1 157/4885TDO2 1236/4885AOC3 920/4885
US-20050222123-A1 Cholinesterase inhibitors for treating inflammation ACHE, BCHE, CHAT IDO1 83/4885TDO2 1003/4885AOC3 714/4885

“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.