SCHEMBL1645442

SCHEMBL1645442

C=C1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
ALDH1A1 P00352 7/20 0.57
GAA P10253 5/20 0.57
KDM4E B2RXH2 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 1/20 0.57
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GFER P55789 6/20 0.55
LMNA P02545 6/20 0.55

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
SCHEMBL7043679 0.81 MAPT (0.77) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL6151120 0.81 MAPT (0.77) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL23347931 0.81 MAPT (0.77) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL710358 0.78 HTR3E (0.55) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL13838192 0.78 ADRB1 (0.55) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL24319565 0.78 AKR1C3 (0.43) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL77364 0.78 MAPT (0.57) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL26814952 0.78 MAPT (0.44) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL12296343 0.78 HRH3 (0.38) MAPTALDH1A1GAAKDM4EKMT2A
Hydrochloric Acid SCHEMBL6073799 0.77 MAPT (0.61) MAPTALDH1A1GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 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 (2 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 MAPT 1771/4885ALDH1A1 2813/4885GAA 1536/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885ALDH1A1 318/4885GAA 228/4885

“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.