SCHEMBL4895013

SCHEMBL4895013

CC(C)(C)N(C(=O)O)C1Cc2cccnc2N(CC2CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.39
RIPK1 Q13546 7/20 0.35
SCN9A Q15858 1/20 0.34
WNT3 P56703 1/20 0.33
KMT2A Q03164 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL4887310 0.88 ADRA2A (0.37) RIPK1KMT2AADRA2AADRA2BADRA2C
SCHEMBL4897407 0.84 CYP1A2 (0.39) RIPK1KMT2AMEN1
SCHEMBL4889310 0.82 RIPK1 (0.41) RIPK1KMT2A
SCHEMBL3774144 0.82 KMT2A (0.34) RIPK1KMT2A
SCHEMBL8273830 0.75 SCN9A (0.47) CRHR1RIPK1SCN9ADRD2
SCHEMBL8274292 0.74 CRHR1 (0.39) CRHR1WNT3KMT2AADRA2AADRA2B
Hydrochloric Acid SCHEMBL4894849 0.73 CRHR1 (0.38) CRHR1KMT2AADRA2AADRA2BADRA2C
SCHEMBL5310034 0.71 CYP1A2 (0.41) RIPK1KMT2AMEN1
SCHEMBL4895917 0.71 GSK3B (0.37)
SCHEMBL4897077 0.71 RIPK1 (0.38) RIPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 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 (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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 CRHR1 1420/4885RIPK1 3999/4885SCN9A 718/4885

“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.