SCHEMBL2822985

SCHEMBL2822985

N#Cc1cnc2ccc(=O)n3c2c1C(CN1CCC(NC(=O)O)CC1)C3

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.48
SLC2A1 P11166 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KCNJ1 P48048 2/20 0.34
PRKAA2 P54646 2/20 0.33
CXCR4 P61073 1/20 0.33

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
SCHEMBL3542968 0.87 KCNH2 (0.62) KCNH2SLC2A1SIGMAR1CXCR4
SCHEMBL3145888 0.86 SLC2A1 (0.42) KCNH2SLC2A1SIGMAR1PRKAA2
SCHEMBL2821795 0.84 KCNH2 (0.46) KCNH2
SCHEMBL2936905 0.83 KCNH2 (0.59) KCNH2SLC2A1SIGMAR1CXCR4
SCHEMBL3557358 0.80 KCNH2 (0.44) KCNH2SLC2A1SIGMAR1PRKAA2CXCR4
SCHEMBL3615723 0.76 KCNH2 (0.40) KCNH2SLC2A1KCNJ1PRKAA2
SCHEMBL3543125 0.75 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL3543122 0.75 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL3155543 0.75 SLC2A1 (0.54) KCNH2SLC2A1SIGMAR1
SCHEMBL3148857 0.75 SLC2A1 (0.43) KCNH2SLC2A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 US 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-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT KCNH2 2592/4885SLC2A1 4507/4885SIGMAR1 843/4885

“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.