SCHEMBL13063441

SCHEMBL13063441

CCOC(=O)N1Cc2ccc(N3CCOCC3)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 3/20 0.65
TMEM97 Q5BJF2 10/20 0.58
SIGMAR1 Q99720 10/20 0.58
HRH1 P35367 5/20 0.58
HRH3 Q9Y5N1 4/20 0.58
HRH2 P25021 4/20 0.58
ADRA2C P18825 3/20 0.58
HTR1A P08908 3/20 0.58
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
HTR1B P28222 2/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR1E P28566 2/20 0.58
HTR2B P41595 2/20 0.58
DRD1 P21728 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A2 P23975 2/20 0.56
CHRM1 P11229 1/20 0.56
AOC3 Q16853 1/20 0.54

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
SCHEMBL14959464 0.87 ABHD6 (0.68) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL12187763 0.87 TMEM97 (0.74) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL19537529 0.84 TMEM97 (0.78) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL2809581 0.84 ABHD6 (0.67) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL13165377 0.82 ABHD6 (0.63) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL20983835 0.79 ABHD6 (1.00) ABHD6
SCHEMBL24817150 0.79 AOC3 (0.62) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL29986944 0.79 AOC3 (0.62) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL13619096 0.79 ABHD6 (0.61) ABHD6TMEM97SIGMAR1HRH1HRH3
SCHEMBL19537603 0.77 TMEM97 (0.79) TMEM97SIGMAR1HRH1HRH3HRH2

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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 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 (2 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ABHD6 1888/4885TMEM97 2415/4885SIGMAR1 861/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABHD6 1888/4885TMEM97 2415/4885SIGMAR1 861/4885

“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.