SCHEMBL22495239

SCHEMBL22495239

C#Cc1ccc(N2CCN(C(=O)O)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 8/20 0.46
ME2 P23368 3/20 0.44
ME1 P48163 3/20 0.44
ME3 Q16798 3/20 0.44
AKR1C3 P42330 2/20 0.43
PARP1 P09874 2/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ADK P55263 1/20 0.40
CHRM4 P08173 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19748850 0.85 PANK3 (0.61) PANK3PARP1PARP2CHRM4
SCHEMBL3075325 0.81 CNR2 (0.58) PANK3PARP1PARP2CHRM4
SCHEMBL5916431 0.80 ADK (0.56) PANK3SMN1; SMN2ADK
SCHEMBL578498 0.78 HTR3A (0.47) PARP1ALDH1A1L3MBTL1
SCHEMBL21551525 0.78 ME2 (0.66) ME2ME1ME3AKR1C3LMNA
SCHEMBL29108005 0.78 MAPT (0.49) PARP1LMNAMAPTADKALDH1A1
SCHEMBL30665755 0.78 MAPT (0.49) PARP1LMNAMAPTADKALDH1A1
SCHEMBL1904842 0.78 GRM5 (0.59) ME2ME1ME3ALDH1A1
SCHEMBL3832779 0.77 ME2 (0.47) ME2ME1ME3AKR1C3LMNA
SCHEMBL16397570 0.77 PANK3 (0.57) PANK3ME2ME1ME3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 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 (2 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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 PANK3 4765/4885ME2 3836/4885ME1 4227/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 PANK3 4767/4885ME2 3940/4885ME1 4320/4885

“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.