SCHEMBL2277280

SCHEMBL2277280

COC(=O)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 18/20 0.66
SIGMAR1 Q99720 18/20 0.66
HRH2 P25021 4/20 0.54
HTR2C P28335 4/20 0.54
HRH1 P35367 4/20 0.54
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54
HRH3 Q9Y5N1 3/20 0.54
HTR1E P28566 3/20 0.54
HTR1A P08908 3/20 0.54
HTR2A P28223 3/20 0.54
HTR2B P41595 3/20 0.54
HTR1B P28222 2/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A4 P31645 1/20 0.54
DRD3 P35462 2/20 0.53
CHRM5 P08912 2/20 0.52
ADRA1D P25100 2/20 0.52
CHRM4 P08173 1/20 0.52

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
SCHEMBL8463640 0.96 TMEM97 (0.66) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL2281885 0.91 TMEM97 (0.61) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL31173403 0.89 TMEM97 (0.68) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL1027550 0.89 TMEM97 (0.67) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL1082437 0.88 TMEM97 (0.64) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL31371636 0.85 TMEM97 (0.61) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL31371629 0.85 TMEM97 (0.56) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL1793928 0.84 TMEM97 (0.67) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL19622378 0.84 TMEM97 (0.71) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL30645345 0.83 TMEM97 (0.70) TMEM97SIGMAR1HRH2HTR2CHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 US disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 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-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS HDAC1, HDAC3, HDAC4 TMEM97 3168/4885SIGMAR1 1674/4885HRH2 769/4885

“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.