SCHEMBL48016

SCHEMBL48016

CC(C)(C)OC(=O)N(OC(=O)ON(C(=O)OC(C)(C)C)C1CCNC1)C1CCNC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.37
SLC6A2 P23975 17/20 0.37
SLC6A3 Q01959 11/20 0.37
CYP2D6 P10635 4/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KCNH2 Q12809 2/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL1033810 0.80 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL181909 0.80 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL65492 0.80 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1863662 0.78 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL2707862 0.78 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL25408690 0.78 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL31250397 0.78 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1863664 0.78 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Ammonia Solution, Strong SCHEMBL19410295 0.78 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL31485474 0.78 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
EP-1437353-B1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2007-06-13 EP disclosed
US-20060194781-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-31 US disclosed
US-7087594-B2 central nervous system disorders; regenerating nervous systems TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20050070521-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1437353-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-07-14 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 (3 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-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SLC6A4 3250/4885SLC6A2 3027/4885SLC6A3 2219/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 SLC6A4 3250/4885SLC6A2 3027/4885SLC6A3 2219/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SLC6A4 3250/4885SLC6A2 3027/4885SLC6A3 2219/4885

“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.