SCHEMBL2821795

SCHEMBL2821795

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.46
DPP4 P27487 5/20 0.34
DPP8 Q6V1X1 2/20 0.34
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SSTR2 P30874 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MTOR P42345 1/20 0.33
KDM1A O60341 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
SCHEMBL3546002 0.85 KCNH2 (0.47) KCNH2DPP4SSTR2MTOR
SCHEMBL3551596 0.85 KCNH2 (0.60) KCNH2DPP4SSTR2MTOR
SCHEMBL3552603 0.85 KCNH2 (0.60) KCNH2DPP4SSTR2MTOR
SCHEMBL3550302 0.85 KCNH2 (0.60) KCNH2DPP4SSTR2MTOR
SCHEMBL2822985 0.84 KCNH2 (0.48) KCNH2
SCHEMBL3144572 0.84 KDM1A (0.36) KCNH2DPP4HRH2HRH1HRH3
SCHEMBL2930163 0.81 KCNH2 (0.58) KCNH2SSTR2MTOR
SCHEMBL2768192 0.77 KCNH2 (0.42) KCNH2
SCHEMBL3546754 0.77 KCNH2 (0.41) KCNH2HRH3
Hydrochloric Acid SCHEMBL3547756 0.76 KCNH2 (0.41) KCNH2HRH3

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 2592/4885DPP4 652/4885DPP8 417/4885

“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.