SCHEMBL943322

SCHEMBL943322

O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)c1c(C2CCCC2)cc2n1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KLF5 Q13887 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 4/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL944101 0.88 ALDH1A1 (0.38) BDKRB1MAPTNPC1PKMRAB9A
SCHEMBL942897 0.87 F13A1 (0.38) MAPTNPC1PKMHTTRAB9A
SCHEMBL3809413 0.85 HTT (0.36) BDKRB1MAPTNPC1HTTRAB9A
SCHEMBL943790 0.84 THRB (0.44) MAPTNPC1PKMHTTRAB9A
SCHEMBL1020824 0.84 ALDH1A1 (0.46) BDKRB1MAPTNPC1PKMHTT
SCHEMBL941854 0.83 ALDH1A1 (0.40) MAPTNPC1PKMHTTRAB9A
SCHEMBL942621 0.83 MAPT (0.44) MAPTNPC1PKMHTTRAB9A
SCHEMBL1646577 0.83 BDKRB1 (0.45) BDKRB1MAPTNPC1PKMHTT
SCHEMBL942160 0.83 MAPT (0.39) MAPTNPC1PKMHTTRAB9A
SCHEMBL1645466 0.82 BDKRB1 (0.46) BDKRB1MAPTNPC1PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 US claimed
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US claimed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP claimed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP claimed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 WO claimed
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 US disclosed
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 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-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS NAT1, FOXM1, CYP51A1 BDKRB1 2673/4885MAPT 2462/4885NPC1 678/4885

“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.