SCHEMBL48398

SCHEMBL48398

O=C(OC1CN(C(=O)CCOCCc2ccc3sccc3c2)C1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA7 P36544 3/20 0.36
DPP7 Q9UHL4 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 2/20 0.33
F2R P25116 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRD1 P41143 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
SCHEMBL48155 0.86 SIGMAR1 (0.51) SIGMAR1CTNNB1WNT3AMRGPRX4CHRNB2
SCHEMBL48110 0.85 SIGMAR1 (0.67) SIGMAR1CTNNB1WNT3AMRGPRX4CHRNB2
SCHEMBL48172 0.85 SIGMAR1 (0.51) SIGMAR1CTNNB1WNT3AROCK2ROCK1
SCHEMBL48057 0.84 SIGMAR1 (0.49) SIGMAR1CTNNB1WNT3AMRGPRX4OPRM1
SCHEMBL48246 0.84 SIGMAR1 (0.50) SIGMAR1CTNNB1WNT3AROCK2ROCK1
SCHEMBL47931 0.84 SIGMAR1 (0.49) SIGMAR1CTNNB1WNT3AMRGPRX4CHRNB2
SCHEMBL47947 0.83 SIGMAR1 (0.49) SIGMAR1ROCK2ROCK1OPRM1OPRK1
SCHEMBL47836 0.83 SIGMAR1 (0.66) SIGMAR1CTNNB1WNT3AMRGPRX4ROCK2
SCHEMBL48860 0.82 SIGMAR1 (0.56) SIGMAR1CTNNB1WNT3AMRGPRX4ROCK2
SCHEMBL48261 0.82 SIGMAR1 (0.50) SIGMAR1CTNNB1WNT3AROCK2ROCK1

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 1934/4885CTNNB1 1823/4885WNT3A 3942/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 SIGMAR1 1934/4885CTNNB1 1823/4885WNT3A 3942/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885CTNNB1 1823/4885WNT3A 3942/4885

“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.