SCHEMBL20445286

SCHEMBL20445286

Cc1nnc(C2CN(C)C2)o1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.38
HSD11B1 P28845 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PDE10A Q9Y233 1/20 0.33
KDM5A P29375 1/20 0.33
ENPP2 Q13822 1/20 0.32
CCR5 P51681 1/20 0.30

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
SCHEMBL2600256 0.81 HSD11B1 (0.48) OGAHSD11B1HRH3
SCHEMBL8226321 0.79
SCHEMBL26268604 0.79 OGA (0.48) OGAHSD11B1HRH3ENPP2CCR5
SCHEMBL25728069 0.77 CYP2C19 (0.39)
SCHEMBL15492424 0.76 CYP2C19 (0.44) OGAHSD11B1HRH3
SCHEMBL13216308 0.74 CHRNB2 (0.38) OGAHRH3PDE10AKDM5A
SCHEMBL5949763 0.72 OGA (0.40) OGAHSD11B1HRH3PDE10ACCR5
SCHEMBL445620 0.72 OGA (0.34) OGAHSD11B1HRH3PDE10A
SCHEMBL15448480 0.72 OGA (0.40) OGAHSD11B1HRH3CCR5
SCHEMBL13216305 0.71 CCR5 (0.43) OGAHRH3CCR5

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
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
US-10548878-B2 Compounds, compositions, and methods of increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20180214419-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2018-08-02 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-10548878-B2 Compounds, compositions, and methods of increasing CFTR activity CFTR, ABCB4, SCNN1B OGA 1872/4885HSD11B1 3155/4885HRH3 3675/4885
US-20180214419-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B OGA 1872/4885HSD11B1 3155/4885HRH3 3675/4885

“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.