SCHEMBL661609

SCHEMBL661609

CCc1noc(C2CCCNC2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.42
TLR8 Q9NR97 3/20 0.42
TLR7 Q9NYK1 3/20 0.42
KDM1A O60341 1/20 0.41
EPHA2 P29317 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
HTR2A P28223 1/20 0.38
CHEK1 O14757 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
PLAT P00750 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35

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
Hydrochloric Acid SCHEMBL9724642 0.98 TLR9 (0.42) TLR9TLR8TLR7KDM1AEPHA2
SCHEMBL13721843 0.86 KDM1A (0.42) TLR9TLR8TLR7KDM1AEPHA2
SCHEMBL5415034 0.85 KDM1A (0.40) TLR9TLR8TLR7KDM1AEPHA2
SCHEMBL6468604 0.82 RAB9A (0.41) PLAT
SCHEMBL3126045 0.81 PLAT (0.45) TLR9TLR8TLR7KDM1AEPHA2
SCHEMBL12073942 0.80 RAB9A (0.47)
SCHEMBL660436 0.80 KDM1A (0.41) TLR9TLR8TLR7KDM1AHTR2A
SCHEMBL661670 0.80 KDM1A (0.41) TLR9TLR8TLR7KDM1AHTR2A
SCHEMBL661261 0.80 KDM1A (0.41) TLR9TLR8TLR7KDM1AHTR2A
SCHEMBL6468594 0.78 RAB9A (0.40) PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459568-A2 Substituted oxadiazoles and thiadiazoles for use in the treatment of glaucoma and novel compounds having such use MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP claimed
US-20180099956-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MITHRIDION, INC. 2018-04-12 US disclosed
US-20170313687-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating NEUROSOLIS INC (US) 2017-11-02 US disclosed
US-9738633-B2 Cognition enhancing compounds and compositions, methods of making, and methods of treating NEUROSOLIS, INC. (US) 2017-08-22 US disclosed
US-20160340348-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MAPLIGHT THERAPEUTICS, INC. 2016-11-24 US disclosed
US-20160199356-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MAPLIGHT THERAPEUTICS, INC. 2016-07-14 US disclosed
US-9174972-B2 Cognition enhancing compounds and compositions, methods of making, and methods of treating NEUROSOLIS, INC. (US) 2015-11-03 US disclosed
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
US-20150099765-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating NEUROSOLIS INC (US) 2015-04-09 US disclosed
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MAPLIGHT THERAPEUTICS, INC. 2011-10-27 US disclosed
WO-2011085406-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2011-07-14 WO disclosed
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists MERCK SHARP & DOHME LTD. (GB) 2011-06-23 US disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 US disclosed
WO-2010102218-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2010-09-10 WO disclosed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
US-5134146-A SUBSTITUTED OXADIAZOLES AND THIADIAZOLES FOR USE IN THE TREATMENT OF GLAUCOMA MERCK SHARP AND DOHME LTD. (GB) 1992-07-28 US disclosed
EP-0459568-A2 Substituted oxadiazoles and thiadiazoles for use in the treatment of glaucoma and novel compounds having such use MERCK SHARP & DOHME LTD. (GB) 1991-12-04 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 (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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 TLR9 747/4885TLR8 1315/4885TLR7 375/4885
US-20160340348-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 TLR9 2565/4885TLR8 2228/4885TLR7 1053/4885
US-20150099765-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating CHRM3, ACHE, CHRM4 TLR9 2872/4885TLR8 2199/4885TLR7 1350/4885
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R TLR9 2236/4885TLR8 2045/4885TLR7 935/4885
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, ACHE, CHRM4 TLR9 2872/4885TLR8 2199/4885TLR7 1350/4885
US-20160199356-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 TLR9 2565/4885TLR8 2228/4885TLR7 1053/4885
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists NR2C2, NR3C2, NR2E3 TLR9 2554/4885TLR8 2079/4885TLR7 1664/4885
US-20180099956-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 TLR9 2565/4885TLR8 2228/4885TLR7 1053/4885
US-20170313687-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating CHRM3, ACHE, CHRM4 TLR9 2872/4885TLR8 2199/4885TLR7 1350/4885
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 TLR9 3866/4885TLR8 4142/4885TLR7 4829/4885

“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.