SCHEMBL33526183

SCHEMBL33526183

Cn1ncc2cc(C#N)c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.43
KMO O15229 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CACNA1H O95180 9/20 0.38
MAOB P27338 2/20 0.38
MAT2A P31153 1/20 0.37
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
KDM1A O60341 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36

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
SCHEMBL33526553 0.93 PGK1 (0.43) PGK1KMOTRPM5HTR2AHTR2C
SCHEMBL31602718 0.80 KDM1A (0.36) CACNA1HKDM1A
SCHEMBL12600620 0.76 HTR2A (0.36) PGK1KMOHTR2AHTR2C
SCHEMBL30711996 0.75 ALDH1A1 (0.41) BCDIN3D
SCHEMBL23357368 0.75 ALDH1A1 (0.41) BCDIN3D
Hydrochloric Acid SCHEMBL27190695 0.74 KDM1A (0.36) HTR2AHTR2CCACNA1HKDM1A
SCHEMBL20056124 0.74 HTR2A (0.45) PGK1TRPM5HTR2AHTR2CCACNA1H
SCHEMBL31752152 0.72 ALDH1A1 (0.40) CACNA1HMAOA
SCHEMBL14745880 0.71 PRKCI (0.44) PGK1KMOCACNA1HMAOBMAT2A
SCHEMBL31602858 0.70 HTR2A (0.41) KMOTRPM5HTR2AHTR2CMAOB

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 PGK1 4072/4885KMO 2727/4885TRPM5 1005/4885

“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.