SCHEMBL48619

SCHEMBL48619

CC1CN(CCCOCCc2ccc3sccc3c2)C1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.79
CYP2A6 P11509 1/20 0.40
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 4/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP2D6 P10635 1/20 0.34
ROCK2 O75116 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
SCHEMBL14492378 0.89 SIGMAR1 (0.76) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL48816 0.89 SIGMAR1 (0.66) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
T-817 SCHEMBL27725 0.88 SIGMAR1 (1.00) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
T-817 SCHEMBL30574118 0.88 SIGMAR1 (1.00) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL47923 0.88 SIGMAR1 (0.87) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL47938 0.87 SIGMAR1 (0.85) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
T-817 SCHEMBL47926 0.87 SIGMAR1 (0.98) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL48248 0.85 SIGMAR1 (0.70) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL52099 0.85 SIGMAR1 (0.70) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL48025 0.84 SIGMAR1 (0.72) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2

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 1934/4885CYP2A6 3512/4885SLC6A4 3250/4885

“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.