SCHEMBL25682829

SCHEMBL25682829

CNc1cc(CN2CCOCC2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NCF1 P14598 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PDE4B Q07343 1/20 0.45
CYP2A13 Q16696 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KCNH2 Q12809 1/20 0.43
NOS1 P29475 1/20 0.43
LRRK2 Q5S007 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL19241863 0.88 HRH3 (0.50) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL28335360 0.86 ALDH1A1 (0.58) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL25682600 0.84 HRH3 (0.51) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL27403191 0.82 HRH3 (0.54) HRH3HTTSMN1; SMN2NCF1PDE4B
SCHEMBL14320176 0.82 HRH3 (0.50) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL17724130 0.80 HRH3 (0.54) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL24289620 0.80 HRH3 (0.47) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL1552775 0.78 HRH3 (0.61) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL20605142 0.78 HRH3 (0.51) HRH3HTTSMN1; SMN2NCF1ALDH1A1
SCHEMBL8257960 0.77 HRH3 (0.54) HRH3HTTSMN1; SMN2NCF1ALDH1A1

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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A HRH3 379/4885HTT 3750/4885SMN1; SMN2 587/4885

“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.