SCHEMBL31457501

SCHEMBL31457501

CO[C@H]1CCN(c2cc(N)ccn2)C[C@H]1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.43
EGFR P00533 5/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KCNH2 Q12809 6/20 0.40
SLC2A1 P11166 1/20 0.39
LRRK2 Q5S007 2/20 0.38
HRH4 Q9H3N8 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
SCHEMBL24811561 0.85 EGFR (0.41) EGFRLRRK2HRH4
SCHEMBL13279450 0.81 USP30 (0.47) OPRD1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL18284854 0.81 GRIN2D (0.49) OPRD1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL18284820 0.81 GRIN2D (0.49) OPRD1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL16374375 0.77 EGFR (0.50) EGFR
SCHEMBL22464585 0.77 EGFR (0.50) EGFR
SCHEMBL19015477 0.77 EGFR (0.50) EGFR
SCHEMBL15740505 0.77 EGFR (0.50) EGFR
SCHEMBL15740731 0.77 EGFR (0.50) EGFR
SCHEMBL30733190 0.77 EGFR (0.50) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250345329-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF VORONOI INC (KR) 2025-11-13 US disclosed
EP-4534532-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF Voronoi Inc. (KR) 2025-04-09 EP 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-20250345329-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF EGFR, ERBB2, ERBB3 OPRD1 2231/4885EGFR 1/4885GRIN2D 2838/4885

“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.