SCHEMBL33525928

SCHEMBL33525928

CC(C)(N)Cn1nc(C(F)(F)F)cc1C1CCN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
AADAT Q8N5Z0 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
TMEM97 Q5BJF2 3/20 0.41
PARP1 P09874 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL33526756 0.86 NPSR1 (0.39) PDK1PDK2PDK3PDK4AADAT
SCHEMBL33526322 0.79 GAA (0.44) POLBTSHRNPSR1
SCHEMBL4764757 0.69 AADAT (0.46) AADATSIGMAR1TMEM97TSHRNPSR1
SCHEMBL4764747 0.69 AADAT (0.46) AADATSIGMAR1TMEM97TSHRNPSR1
Hydrochloric Acid SCHEMBL34467091 0.68 POLB (0.46) POLBTSHR
Hydrochloric Acid SCHEMBL33527160 0.68 POLB (0.46) POLBTSHR
Trifluoroacetic Acid SCHEMBL33527477 0.68 POLB (0.41) PARP1POLB
SCHEMBL16794552 0.67 SMN1; SMN2 (0.53) SIGMAR1TMEM97NPSR1
SCHEMBL16806475 0.67 CARM1 (0.42) POLBTSHRNPSR1
Hydrochloric Acid SCHEMBL31753682 0.67 POLB (0.42) POLBTSHR

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-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS LILLY CO ELI (US) 2026-04-02 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 (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-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS GIPR, GLP1R, GPR119 PDK1 1803/4885PDK2 3115/4885PDK3 2425/4885

“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.