SCHEMBL3013221

SCHEMBL3013221

Nc1ccc2c(c1)CCC(N(Cc1cc3c(cn1)OCCO3)C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.35
KCNH2 Q12809 10/20 0.35
HTR2C P28335 6/20 0.35
GRIN2B Q13224 1/20 0.32
DRD3 P35462 4/20 0.32
DRD2 P14416 2/20 0.31

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
SCHEMBL3028019 0.89 MCHR1 (0.35) MCHR1KCNH2HTR2CDRD3DRD2
SCHEMBL3666877 0.87 NR1H2 (0.34) MCHR1KCNH2HTR2CDRD3DRD2
SCHEMBL3026349 0.82 MCHR1 (0.35) MCHR1KCNH2HTR2CDRD3
SCHEMBL3025535 0.81 KCNH2 (0.39) KCNH2
SCHEMBL3804841 0.81 KCNH2 (0.39) KCNH2
SCHEMBL3028539 0.77 KCNH2 (0.36) MCHR1KCNH2HTR2C
SCHEMBL3020655 0.77 MCHR1 (0.34) MCHR1KCNH2HTR2CDRD3DRD2
SCHEMBL2767755 0.76 KDM4E (0.37) KCNH2
SCHEMBL3016694 0.76 KCNH2 (0.37) KCNH2
SCHEMBL3016687 0.76 KCNH2 (0.37) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH MCHR1 4724/4885KCNH2 2445/4885HTR2C 2852/4885

“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.