SCHEMBL3621172

SCHEMBL3621172

COC(=O)N1CCC(C(=O)O)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
BRDT Q58F21 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30341023 0.84 GAA (0.47) BRD4GAAMEN1MAPK1KMT2A
SCHEMBL8304911 0.83 GPR119 (0.47) EPHX1SMN1; SMN2USP2HSD17B10ALDH1A1
SCHEMBL7005716 0.80 CDC42 (0.32) NPC1RAB9AL3MBTL1
SCHEMBL3621568 0.80 GAA (0.43) GAAMEN1KMT2AL3MBTL1HSD17B10
SCHEMBL6079109 0.79 BRD4 (0.38) BRD4BRDTCHRNB2CHRNA4CHRNB4
SCHEMBL17787817 0.79 GAA (0.34) BRD4BRDTEPHX1GAAMEN1
Formaldehyde SCHEMBL6083170 0.77 BRD4 (0.36) BRD4BRDTCHRNB2CHRNA4CHRNB4
SCHEMBL17633089 0.76 MEN1 (0.39) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23979945 0.74 ALDH1A1 (0.45) EPHX1MAPK1KMT2ANPC1RAB9A
SCHEMBL27662899 0.74 HSD17B10 (0.47) EPHX1MEN1KMT2ASMN1; SMN2USP2

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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS BRD4 2690/4885BRDT 4680/4885CHRNB2 4881/4885

“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.