SCHEMBL21604547

SCHEMBL21604547

Cc1cc(C[C@H]2CCCN(Cc3sc(N)nc3Br)C2)cc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.52
OPRK1 P41145 1/20 0.52
ADRA2B P18089 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE2A O00408 14/20 0.36
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
SIRT2 Q8IXJ6 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
SCHEMBL21604564 0.81 OGA (0.70) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21604548 0.81 OGA (0.70) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21605775 0.75 ADRA2B (0.54) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21607972 0.75 OGA (0.52) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21607817 0.74 SIGMAR1 (0.54) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21608000 0.74 OGA (0.51) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21607846 0.74 ADRA2B (0.49) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21607996 0.74 OGA (0.51) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL29268279 0.73 OGA (0.46) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL20281636 0.72 OGA (0.51) OGAOPRK1ADRA2BSLC6A4SLC6A3

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-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
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243526-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 OGA 1/4885OPRK1 1977/4885ADRA2B 4582/4885

“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.