SCHEMBL48087

SCHEMBL48087

OCCc1cccc2sccc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
TBXAS1 P24557 1/20 0.51
CYP2A6 P11509 1/20 0.46
OPRM1 P35372 6/20 0.41
OPRK1 P41145 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL3150232 0.84 CYP2A6 (0.59) CYP19A1TBXAS1CYP2A6OPRM1OPRK1
SCHEMBL30287240 0.84 CYP2A6 (0.59) CYP19A1TBXAS1CYP2A6OPRM1OPRK1
SCHEMBL13873185 0.81 CYP19A1 (0.46) CYP19A1TBXAS1CYP2A6OPRM1OPRK1
SCHEMBL3791450 0.81 CYP19A1 (0.51) CYP19A1TBXAS1CYP2A6OPRM1OPRK1
SCHEMBL20562508 0.81 CYP19A1 (0.51) CYP19A1TBXAS1CYP2A6OPRM1OPRK1
SCHEMBL47979 0.81 CYP19A1 (0.43) CYP19A1TBXAS1CYP2A6OPRM1OPRK1
SCHEMBL3796692 0.78 CYP19A1 (0.49) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL3623024 0.78 CYP19A1 (0.49) CYP19A1TBXAS1CYP2A6OPRM1OPRK1
SCHEMBL10768021 0.77 CYP19A1 (0.48) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL10664242 0.77 CYP19A1 (0.48) CYP19A1TBXAS1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008322-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP (CA) 2016-01-14 US disclosed
US-20140314685-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2014-10-23 US disclosed
US-20130171077-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2013-07-04 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
EP-1614419-B1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-08-08 EP disclosed
CN-101643470-B Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2012-08-01 CN disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20050020481-A1 Ion channel modulating compounds and uses thereof BAIN ALLAN I (CA) 2005-01-27 US disclosed
CN-1571786-A Alkyl ether derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-01-26 CN 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-1437353-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-07-14 EP disclosed
EP-1422217-A2 Aminocyclohexyl ether compounds and uses thereof Cardiome Pharma Corp. (CA) 2004-05-26 EP disclosed
EP-1087934-B1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF NORTRAN PHARMACEUTICALS INC (CA) 2004-02-25 EP 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
CN-1303364-A Aminocyclohexyl ether compounds and uses thereof NORTRAN PHARMACEUTICALS INC (CA) 2001-07-11 CN disclosed
EP-1087934-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF Nortran Pharmaceuticals Inc. (CA) 2001-04-04 EP disclosed
WO-1999050225-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF NORTRAN PHARMACEUTICALS INC. (CA) 1999-10-07 WO 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 (4 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-20130171077-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 CYP19A1 3139/4885TBXAS1 606/4885CYP2A6 1521/4885
US-20050020481-A1 Ion channel modulating compounds and uses thereof TRPV1, TRPA1, KCNN2 CYP19A1 3139/4885TBXAS1 606/4885CYP2A6 1521/4885
US-20160008322-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 CYP19A1 3139/4885TBXAS1 606/4885CYP2A6 1521/4885
US-20140314685-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 CYP19A1 3139/4885TBXAS1 606/4885CYP2A6 1521/4885

“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.