SCHEMBL9989170

SCHEMBL9989170

CN1C(=O)[C@H](NC(=O)C(C)(C)NC(=O)c2ccccc2)CNc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.52
SCN9A Q15858 1/20 0.47
XIAP P98170 2/20 0.39
PYGL P06737 2/20 0.38
PYGM P11217 2/20 0.38
BRPF1 P55201 1/20 0.37
POLB P06746 1/20 0.36
CCKBR P32239 2/20 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
SCHEMBL9989682 0.92 SCN9A (0.49) RIPK1SCN9AXIAPPYGLPYGM
SCHEMBL1740427 0.88 RIPK1 (0.44) RIPK1SCN9APYGLPYGMCCKBR
SCHEMBL9988825 0.82 RIPK1 (0.41) RIPK1SCN9APYGLPYGM
SCHEMBL9990639 0.82 RIPK1 (0.40) RIPK1SCN9APYGLPYGM
SCHEMBL4191956 0.81 RIPK1 (0.60) RIPK1SCN9AXIAPPYGLPYGM
SCHEMBL3915586 0.81 RIPK1 (0.60) RIPK1SCN9AXIAPPYGLPYGM
SCHEMBL9988922 0.81 RIPK1 (0.48) RIPK1PYGLPYGMPOLBCCKBR
SCHEMBL9989693 0.79 SCN9A (0.39) RIPK1SCN9APYGLPYGMCCKBR
SCHEMBL9990649 0.79 RIPK1 (0.39) RIPK1SCN9APYGLPYGMCCKBR
SCHEMBL9990232 0.78 RIPK1 (0.52) RIPK1SCN9AXIAPPYGLPYGM

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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-12-29 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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES DGAT1, DGAT2, GRIN1 RIPK1 3797/4885SCN9A 1526/4885XIAP 4781/4885

“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.