SCHEMBL33527398

SCHEMBL33527398

COc1ccc(Cn2ncc3c2cc(C#N)c[n+]3[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.43
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
MCHR1 Q99705 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
CYP19A1 P11511 1/20 0.39
BRD4 O60885 1/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PDE8B O95263 1/20 0.38

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
SCHEMBL23210999 0.86 NPBWR1 (0.48) NPBWR1PKMPKLRMCHR1GRIN1
SCHEMBL33526059 0.77 GRIN1 (0.55) GRIN1GRIN2BCYP19A1
SCHEMBL31752570 0.72 CYP11B2 (0.36)
SCHEMBL33526429 0.68 GRIN1 (0.46) NPBWR1PKMPKLRMCHR1GRIN1
SCHEMBL3356641 0.68 NPBWR1 (0.49) NPBWR1PKMPKLRMCHR1CYP19A1
SCHEMBL16014455 0.67 KMT2A (0.54) NPBWR1PKMMCHR1PDE8B
SCHEMBL15123353 0.67 CYP19A1 (0.57) GRIN1GRIN2BCYP19A1MAOAMAOB
SCHEMBL23210845 0.66 GRIN1 (0.61) NPBWR1MCHR1GRIN1GRIN2B
SCHEMBL23210996 0.65 GRIN1 (0.58) NPBWR1GRIN1GRIN2BPDE1B
SCHEMBL4313877 0.65 PIK3R1 (0.48) PKMPKLRGRIN1GRIN2BCYP19A1

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 NPBWR1 48/4885PKM 3636/4885PKLR 3595/4885

“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.