SCHEMBL23352467

SCHEMBL23352467

C/N=C(\C)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MGLL Q99685 2/20 0.41
PHGDH O43175 1/20 0.41
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 2/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL10145062 0.89
SCHEMBL12132241 0.89
SCHEMBL8297623 0.78
SCHEMBL10143226 0.78
SCHEMBL10145060 0.78
SCHEMBL12132242 0.78
SCHEMBL12132349 0.76 KMT2A (0.39) CYP1A2MGLLPHGDHALDH1A1HTT
SCHEMBL24051546 0.76 CYP1A2 (0.46) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL10145581 0.76 KMT2A (0.39) CYP1A2MGLLPHGDHALDH1A1HTT
SCHEMBL17236510 0.72 SMN1; SMN2 (0.50) MGLLPHGDHALDH1A1HTTLMNA

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-20210137853-A1 METHODS OF TREATING EPILEPTIC PATIENTS WITH FENFLURAMINE ZOGENIX INTERNATIONAL LIMITED (GB) 2021-05-13 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-20210137853-A1 METHODS OF TREATING EPILEPTIC PATIENTS WITH FENFLURAMINE SLC6A4, SLC1A2, SLC6A2 CYP1A2 499/4885TDP1 1806/4885MGLL 1062/4885

“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.