SCHEMBL7010020

SCHEMBL7010020

CCOC(=O)CC1CN(c2ccnc(C)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 15/20 0.46
▸ TMEM97 Q5BJF2 14/20 0.46
▸ SLC6A2 P23975 2/20 0.44
▸ HRH2 P25021 2/20 0.44
▸ HRH1 P35367 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR1E P28566 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL7016352 0.92 SIGMAR1 (0.45) SIGMAR1TMEM97HRH2HRH1HTR1A
SCHEMBL7016513 0.90 NR1H2 (0.48) SIGMAR1TMEM97ADRA1DSLC6A3
SCHEMBL7013241 0.90 SIGMAR1 (0.42) SIGMAR1TMEM97HRH2HRH1HTR1A
SCHEMBL7020197 0.88 SIGMAR1 (0.42) SIGMAR1TMEM97HRH2HRH1HTR1A
SCHEMBL7016082 0.82 NPSR1 (0.46) SIGMAR1TMEM97ADRA1DSLC6A3
SCHEMBL7015153 0.78 MAPT (0.42) —
SCHEMBL21590367 0.78 NR1H2 (0.51) SIGMAR1TMEM97HRH2HRH1HTR1A
SCHEMBL21594457 0.78 NR1H2 (0.51) SIGMAR1TMEM97HRH2HRH1HTR1A
SCHEMBL29973124 0.73 CHRM4 (0.54) TMEM97
SCHEMBL7013012 0.73 AOC3 (0.39) SIGMAR1TMEM97HRH2HRH1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — 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 (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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH SIGMAR1 270/4885TMEM97 3732/4885SLC6A2 4258/4885

“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.

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