SCHEMBL48860

SCHEMBL48860

CC1CN(C(=O)CCOCCc2ccc3sccc3c2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL47836 0.90 SIGMAR1 (0.66) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL14492351 0.89 SIGMAR1 (0.54) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL48172 0.86 SIGMAR1 (0.51) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL48233 0.86 SIGMAR1 (0.51) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL48246 0.85 SIGMAR1 (0.50) SIGMAR1OPRM1OPRK1CYP2A6KMT2A
SCHEMBL48261 0.85 SIGMAR1 (0.50) SIGMAR1OPRM1OPRK1CYP2A6KMT2A
SCHEMBL52456 0.85 SIGMAR1 (0.52) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL47947 0.84 SIGMAR1 (0.49) SIGMAR1OPRM1OPRK1CYP2A6ALDH1A1
SCHEMBL48155 0.83 SIGMAR1 (0.51) SIGMAR1OPRM1OPRK1CYP2A6CTNNB1
SCHEMBL48398 0.82 SIGMAR1 (0.50) SIGMAR1OPRM1OPRK1KMT2AROCK2

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 SIGMAR1 1934/4885OPRM1 1485/4885OPRK1 614/4885

“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.