SCHEMBL2336423

SCHEMBL2336423

[CH2]COC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TDO2 P48775 2/20 0.52
SLC6A4 P31645 4/20 0.52
SLC6A3 Q01959 4/20 0.52
SLC6A2 P23975 3/20 0.52
SIGMAR1 Q99720 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL12748150 0.77 SLC6A2 (0.56) IDO1TDO2SLC6A4SLC6A3SLC6A2
SCHEMBL7429799 0.77 IDO1 (0.50) IDO1TDO2SLC6A4SLC6A3SLC6A2
SCHEMBL1505811 0.76 SCN1A (0.50) SLC6A4SLC6A3SLC6A2SIGMAR1MEN1
Hydrochloric Acid SCHEMBL9714844 0.76 IDO1 (0.54) IDO1TDO2SLC6A4SLC6A3SLC6A2
SCHEMBL2336595 0.75 IDO1 (0.51) IDO1TDO2
SCHEMBL4278117 0.74 SLC6A4 (0.58) IDO1TDO2SLC6A4SLC6A3SLC6A2
SCHEMBL7437880 0.74 SLC6A4 (0.58) IDO1TDO2SLC6A4SLC6A3SLC6A2
SCHEMBL4283044 0.74 SLC6A2 (0.58) IDO1TDO2SLC6A4SLC6A3SLC6A2
Flunamine SCHEMBL2110008 0.74 SLC6A4 (0.58) IDO1TDO2SLC6A4SLC6A3SLC6A2
SCHEMBL423398 0.74 SLC6A2 (0.62) IDO1TDO2SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448765-B1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1994-08-17 EP claimed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP claimed
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-5747523-A TREATMENT OF COCAINE ADDICTION GUILFORD PHARMACEUTICALS INC. (US) 1998-05-05 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
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
EP-0243905-A1 1-(omega-[bis-(phenyl)alkoxy]-alkyl)-4-(di-(phenyl)-methyl)piperazines, process for their preparation and medicines containing them Richter Gedeon Vegyészeti Gyár R.T. (HU) 1987-11-04 EP 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 1236/4885SLC6A4 1492/4885
US-20050222123-A1 Cholinesterase inhibitors for treating inflammation ACHE, BCHE, CHAT IDO1 83/4885TDO2 1003/4885SLC6A4 1154/4885

“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.