SCHEMBL3816500

SCHEMBL3816500

CCCOCCc1ccc2sccc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.56
▸ CYP2A6 P11509 2/20 0.51
▸ CA2 P00918 5/20 0.40
▸ CA12 O43570 4/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ DYRK1A Q13627 1/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ PTPN22 Q9Y2R2 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ CTNNB1 P35222 2/20 0.33
▸ WNT3A P56704 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL52071 0.91 SIGMAR1 (0.60) SIGMAR1CYP2A6CA2CA12PDE10A
SCHEMBL3812405 0.86 SIGMAR1 (0.50) SIGMAR1CYP2A6
SCHEMBL632046 0.85 SIGMAR1 (0.49) SIGMAR1CYP2A6CA2CA12CTNNB1
SCHEMBL3813009 0.84 SIGMAR1 (0.60) SIGMAR1CYP2A6CA2CA12PDE10A
SCHEMBL3807907 0.84 SIGMAR1 (0.51) SIGMAR1CYP2A6CA2CA12PDE10A
SCHEMBL3808291 0.84 SIGMAR1 (0.53) SIGMAR1CYP2A6CA2CA12PDE10A
SCHEMBL3816651 0.84 SIGMAR1 (0.53) SIGMAR1CYP2A6CA2CA12PDE10A
SCHEMBL3789042 0.83 CYP2A6 (0.61) SIGMAR1CYP2A6CA2CA12PDE10A
SCHEMBL3812034 0.83 SIGMAR1 (0.50) SIGMAR1CYP2A6CA2CA12PDE10A
SCHEMBL6002906 0.83 SIGMAR1 (0.54) SIGMAR1CYP2A6CA2CA12PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951963-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-31 — — US disclosed
US-7951963-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-31 — — US disclosed
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-04-28 — — 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-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD (JP) 2009-03-12 — — US disclosed
US-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD (JP) 2009-03-12 — — 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 (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-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF PMP22, ACOX1, PAOX SIGMAR1 1914/4885CYP2A6 1393/4885CA2 922/4885
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF PMP22, ACOX1, PAOX SIGMAR1 1914/4885CYP2A6 1393/4885CA2 922/4885

“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.

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