SCHEMBL944261

SCHEMBL944261

O=C(Nc1ccc(N2CCN(c3cccnc3)CC2)cc1)C(=O)c1c(-c2ccccc2)cc2n1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
HTR1A P08908 4/20 0.43
DRD2 P14416 4/20 0.43
IRAK4 Q9NWZ3 2/20 0.41
MAPK1 P28482 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
NPY2R P49146 1/20 0.41
NAMPT P43490 4/20 0.41
HTT P42858 1/20 0.38

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
SCHEMBL943790 0.86 THRB (0.44) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL942621 0.84 MAPT (0.44) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL943061 0.84 HRH3 (0.42) SMN1; SMN2MAPTTP53NPC1ALDH1A1
SCHEMBL942748 0.83 GAA (0.42) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL942282 0.83 USP2 (0.41) SMN1; SMN2MAPTTP53NPC1ALDH1A1
SCHEMBL1988997 0.83 THRB (0.45) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL943058 0.83 MAPT (0.46) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL943584 0.83 PANK3 (0.41) SMN1; SMN2MAPTTP53NPC1ALDH1A1
SCHEMBL944509 0.83 MAPT (0.39) SMN1; SMN2MAPTTP53NPC1ALDH1A1
SCHEMBL943065 0.82 REV1 (0.43) SMN1; SMN2MAPTHTR1ADRD2

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 6 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

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 SMN1; SMN2 3050/4885MAPT 2462/4885TP53 2197/4885

“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.