SCHEMBL3024862

SCHEMBL3024862

COc1ccc2c(n1)N(c1ccc3c(c1)CCC(NC(=O)O)C3)C(=O)CN2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
ACHE P22303 4/20 0.39
RIPK1 Q13546 1/20 0.37
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
USP28 Q96RU2 1/20 0.36
HTR2C P28335 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
CRBN Q96SW2 4/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL3020288 0.87 RIPK1 (0.36) RIPK1MTNR1AMTNR1BHTR2CHDAC8
SCHEMBL3012194 0.81 RIPK1 (0.33) RIPK1HDAC8IDH1
SCHEMBL3724009 0.77 GAA (0.33) HTR2C
SCHEMBL3026890 0.77 KDM4C (0.40) MTNR1AMTNR1BHTR2C
SCHEMBL3724011 0.76 GAA (0.33) HTR2C
SCHEMBL3724329 0.74 KDM4C (0.31) CRBN
SCHEMBL3016030 0.74 KCNH2 (0.36)
SCHEMBL3023008 0.68 HTR2C (0.32) MTNR1AMTNR1BHTR2C
SCHEMBL3723303 0.66
SCHEMBL3008126 0.65 MTNR1A (0.34) CA1CA2ACHEMTNR1AMTNR1B

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 CA1 4217/4885CA2 2150/4885ACHE 886/4885

“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.