SCHEMBL943643

SCHEMBL943643

O=C(Nc1ccc(N2CCN(c3ccc(CN4CCOCC4)cn3)CC2)cc1)C(=O)c1c(-c2ccccc2)cc2n1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
DGAT1 O75907 5/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
MOK Q9UQ07 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37

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
SCHEMBL943058 0.86 MAPT (0.46) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL1126649 0.86 ALDH1A1 (0.43) WNT3ARAB9ASMN1; SMN2NPC1HTT
SCHEMBL943584 0.85 PANK3 (0.41) WNT3ARAB9ASMN1; SMN2NPC1HTT
SCHEMBL1644702 0.84 MAPT (0.52) WNT3ARAB9ASMN1; SMN2NPC1HTT
SCHEMBL943790 0.83 THRB (0.44) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL1993121 0.83 PANK3 (0.41) WNT3ARAB9ASMN1; SMN2NPC1DGAT1
SCHEMBL942621 0.82 MAPT (0.44) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL1988997 0.81 THRB (0.45) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL1989903 0.81 DGAT1 (0.40) WNT3ARAB9ASMN1; SMN2NPC1HIF1A
SCHEMBL1019928 0.81 DGAT1 (0.42) RAB9ASMN1; SMN2HTTDGAT1MAPT

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 WNT3A 3570/4885HRH3 610/4885RAB9A 2441/4885

“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.