SCHEMBL943790

SCHEMBL943790

O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)c1c(-c2ccccc2)cc2n1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 6/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KLF5 Q13887 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPK1 P28482 1/20 0.39
PANK3 Q9H999 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
SCHEMBL942621 0.98 MAPT (0.44) THRBNPSR1ALDH1A1KDM4EMAPT
SCHEMBL1988997 0.97 THRB (0.45) THRBNPSR1ALDH1A1KDM4EMAPT
SCHEMBL944509 0.90 MAPT (0.39) THRBNPSR1ALDH1A1KDM4EMAPT
SCHEMBL943483 0.88 NPC1 (0.39) NPSR1ALDH1A1KDM4EMAPTHTT
SCHEMBL943584 0.88 PANK3 (0.41) NPSR1ALDH1A1KDM4EMAPTHTT
SCHEMBL942761 0.88 REV1 (0.43) THRBNPSR1ALDH1A1KDM4EMAPT
SCHEMBL944196 0.87 CNR1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1993096 0.87 ALDH1A1 (0.39) THRBNPSR1ALDH1A1KDM4EMAPT
SCHEMBL1994121 0.86 ALDH1A1 (0.43) THRBNPSR1ALDH1A1KDM4EMAPT
SCHEMBL944261 0.86 SMN1; SMN2 (0.44) ALDH1A1MAPTHTTNPC1RAB9A

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
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
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 disclosed
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 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 THRB 3069/4885NPSR1 2188/4885ALDH1A1 124/4885

“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.