SCHEMBL1126465

SCHEMBL1126465

Cc1cccc(N2CCN(c3ccc(N)cc3)CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
HTR3A P46098 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
KCNH2 Q12809 2/20 0.58
MAPT P10636 9/20 0.51
KDM4E B2RXH2 6/20 0.51
GFER P55789 5/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 4/20 0.51
KMT2A Q03164 3/20 0.51
ADRA2C P18825 1/20 0.51
PTK2B Q14289 1/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX12 P18054 2/20 0.47
RAD52 P43351 1/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL22495410 0.80 MAPT (0.47) MAPTKDM4EGFERALDH1A1GAA
SCHEMBL942671 0.80 MAPT (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL943023 0.79 MAPT (0.55) MAPTKDM4EGFERALDH1A1GAA
SCHEMBL1126919 0.79 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1126692 0.78 SIRT6 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2127461 0.78 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22495381 0.77 MAPT (0.44) MAPTKDM4EGFERALDH1A1GAA
SCHEMBL13711981 0.77 KCNH2 (0.87) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1515249 0.77 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4553876 0.77 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
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
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 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
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HTR3E 4498/4885HTR3B 4650/4885HTR3A 4268/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HTR3E 4498/4885HTR3B 4650/4885HTR3A 4268/4885
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 HTR3E 1063/4885HTR3B 1144/4885HTR3A 1167/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HTR3E 3878/4885HTR3B 4459/4885HTR3A 4130/4885

“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.