SCHEMBL27091

SCHEMBL27091

CN(CCO)CCCOCCc1ccc2sccc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
CYP2A6 P11509 1/20 0.40
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33
LTA4H P09960 3/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3811870 0.95 SIGMAR1 (0.53) SIGMAR1CYP2A6OPRM1OPRK1ALDH1A1
Oxalic Acid SCHEMBL3807802 0.94 SIGMAR1 (0.51) SIGMAR1CYP2A6OPRM1OPRK1KDM4E
SCHEMBL3807910 0.93 SIGMAR1 (0.51) SIGMAR1CYP2A6OPRM1OPRK1ALDH1A1
Fumaric Acid SCHEMBL6522397 0.92 SIGMAR1 (0.60) SIGMAR1CYP2A6OPRM1OPRK1LTA4H
Fumaric Acid SCHEMBL6522403 0.92 SIGMAR1 (0.60) SIGMAR1CYP2A6OPRM1OPRK1LTA4H
SCHEMBL3810177 0.91 SIGMAR1 (0.52) SIGMAR1CYP2A6OPRM1OPRK1ALDH1A1
Oxalic Acid SCHEMBL3811633 0.90 SIGMAR1 (0.49) SIGMAR1CYP2A6OPRM1OPRK1KDM4E
Oxalic Acid SCHEMBL3807582 0.87 SIGMAR1 (0.48) SIGMAR1CYP2A6OPRM1OPRK1ALDH1A1
SCHEMBL14492178 0.86 SIGMAR1 (0.53) SIGMAR1CYP2A6OPRM1OPRK1ALDH1A1
Oxalic Acid SCHEMBL3808414 0.85 SIGMAR1 (0.48) SIGMAR1CYP2A6OPRM1OPRK1KDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed
EP-2389937-A1 Medicinal composition for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-30 EP claimed
US-8038956-B2 Catalyzed soot filter manufacture and systems BASF CORPORATION (US) 2011-10-18 US claimed
US-7834053-B2 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2010-11-16 US claimed
US-20080103126-A1 Medicinal compositions improving brain function and method for improving brian function TOYAMA CHEMICAL CO., LTD. (JP) 2008-05-01 US claimed
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP disclosed
EP-2389937-A1 Medicinal composition for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-30 EP disclosed
US-8038956-B2 Catalyzed soot filter manufacture and systems BASF CORPORATION (US) 2011-10-18 US disclosed
US-RE42327-E1 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7834053-B2 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-20080103126-A1 Medicinal compositions improving brain function and method for improving brian function TOYAMA CHEMICAL CO., LTD. (JP) 2008-05-01 US disclosed
US-7342043-B2 synergistic antihypoxic mixture: acetylcholine esterase inhibitor (Donepezil and Tacrine) and neuroprotectant 1-[3-(2-(1-benzothiophen-5-yl)ethoxy)propyl]-3-azetidinol maleate; dysfunction of cerebral acetylcholine neurons in sequelae of cerebrovascular and senile dementia, Alzheimer's disease TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050250843-A1 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2005-11-10 US disclosed
EP-1514542-A1 MEDICINAL COMPOSITIONS IMPROVING BRAIN FUNCTION AND METHOD FOR IMPROVING BRAIN FUNCTION TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-16 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 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-20050250843-A1 Medicinal compositions improving brain function and method for improving brain function CHRM2, ACHE, CHAT SIGMAR1 1872/4885CYP2A6 1840/4885OPRM1 1553/4885
US-20080103126-A1 Medicinal compositions improving brain function and method for improving brian function CHRM2, ACHE, CHRM1 SIGMAR1 2325/4885CYP2A6 1942/4885OPRM1 1094/4885

“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.