SCHEMBL48172

SCHEMBL48172

COC(=O)OC1CN(C(=O)CCOCCc2ccc3sccc3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP2A6 P11509 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
MET P08581 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR2 Q969V1 1/20 0.32
MCHR1 Q99705 1/20 0.32
F2R P25116 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
SCHEMBL47947 0.91 SIGMAR1 (0.49) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL48246 0.88 SIGMAR1 (0.50) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL48233 0.86 SIGMAR1 (0.51) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL48860 0.86 SIGMAR1 (0.56) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL48398 0.85 SIGMAR1 (0.50) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL47836 0.85 SIGMAR1 (0.66) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL47955 0.85 SIGMAR1 (0.70) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL14492351 0.84 SIGMAR1 (0.54) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL52456 0.84 SIGMAR1 (0.52) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL48261 0.84 SIGMAR1 (0.50) SIGMAR1ROCK2ROCK1OPRM1OPRK1

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
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
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-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-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 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
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 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 SIGMAR1 1934/4885ROCK2 3701/4885ROCK1 3373/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 SIGMAR1 1934/4885ROCK2 3701/4885ROCK1 3373/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885ROCK2 3701/4885ROCK1 3373/4885

“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.