SCHEMBL21607112

SCHEMBL21607112

Cc1cnc(OC2CCNCC2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.45
TIPARP Q7Z3E1 1/20 0.40
ROCK1 Q13464 1/20 0.40
HRH1 P35367 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
IKBKB O14920 2/20 0.39
AR P10275 1/20 0.39
SYK P43405 2/20 0.39
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHUK O15111 1/20 0.37
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
P2RX7 Q99572 1/20 0.36
PAICS P22234 1/20 0.35

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
Hydrochloric Acid SCHEMBL5339551 0.84 TDO2 (0.42) TDO2TIPARPROCK1HRH1TMEM97
SCHEMBL26026843 0.84 PDGFRB (0.46)
SCHEMBL26026844 0.84 PDGFRB (0.43) KCNH2
SCHEMBL23481155 0.81 CHRNB2 (0.35) TDO2
SCHEMBL15223501 0.79 TMEM97 (0.43) TDO2TIPARPROCK1HRH1TMEM97
SCHEMBL1551070 0.77 ROCK1 (0.40) TDO2TIPARPROCK1HRH1TMEM97
SCHEMBL942437 0.77 TDO2 (0.48) TDO2ROCK1HRH1TMEM97SIGMAR1
SCHEMBL5461353 0.77 TDO2 (0.42) TDO2TIPARPROCK1HRH1TMEM97
Hydrochloric Acid SCHEMBL5340525 0.75 TDO2 (0.47) TDO2ROCK1HRH1TMEM97SIGMAR1
SCHEMBL15829858 0.75 SYK (0.48) TDO2ROCK1HRH1TMEM97SIGMAR1

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-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN TDO2 2302/4885TIPARP 439/4885ROCK1 4324/4885

“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.