SCHEMBL5744836

SCHEMBL5744836

NC1CCN(CCc2c(Cl)cnc3ccc(Cl)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 3/20 0.48
SLC2A1 P11166 1/20 0.40
PAK4 O96013 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPY1R P25929 6/20 0.39
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
CNR1 P21554 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6080089 0.88 SSTR2 (0.44) SSTR2SLC2A1KCNH2
SCHEMBL5744249 0.85 KCNH2 (0.49) SSTR2SLC2A1KCNH2
Hydrochloric Acid SCHEMBL5746922 0.85 KCNH2 (0.48) SSTR2SLC2A1KCNH2
SCHEMBL6080374 0.85 SSTR2 (0.37) SSTR2SLC2A1CYP1A2CYP2D6CYP2C9
SCHEMBL6079762 0.82 CNR2 (0.45) SLC2A1KCNH2CNR1
SCHEMBL3253090 0.76 PTPN11 (0.34) SSTR2SLC2A1KCNH2
SCHEMBL3253088 0.76 PTPN11 (0.34) SSTR2SLC2A1KCNH2
SCHEMBL3246504 0.76 PTPN11 (0.34) SSTR2SLC2A1KCNH2
SCHEMBL3246499 0.76 PTPN11 (0.34) SSTR2SLC2A1KCNH2
SCHEMBL5744944 0.76 KCNH2 (0.46) SSTR2SLC2A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG SSTR2 4859/4885SLC2A1 4409/4885PAK4 1164/4885

“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.