SCHEMBL20161768

SCHEMBL20161768

Cn1c(=O)c2c(ncn2C(=O)NCc2ccccn2)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
CASP3 P42574 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
ADORA2B P29275 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 1/20 0.45
SHMT2 P34897 1/20 0.44

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
SCHEMBL10113993 0.83 LMNA (0.68) GAALMNAALDH1A1ALOX15HSD17B10
SCHEMBL10113988 0.74 RXFP1 (0.62) MAOBGAALMNAALDH1A1ALOX15
SCHEMBL20161760 0.73 TRPA1 (0.48) ALDH1A1ALOX15CYP1A2SMN1; SMN2MAPK1
SCHEMBL684090 0.72 ADORA2B (0.54) LMNAALDH1A1CYP1A2SMN1; SMN2MAPK1
SCHEMBL11702678 0.72 ADORA2B (0.64) LMNASMN1; SMN2MAPK1ADORA2BRXFP1
SCHEMBL11635125 0.71 ADORA2B (0.58) LMNASMN1; SMN2MAPK1ADORA2BRXFP1
SCHEMBL7020240 0.71 ADORA2B (0.62) LMNAALDH1A1SMN1; SMN2MAPK1ADORA2B
SCHEMBL5471122 0.71 ADORA2B (0.62) LMNASMN1; SMN2MAPK1ADORA2BRXFP1
SCHEMBL11632640 0.70 ADORA2B (0.57) LMNASMN1; SMN2MAPK1ADORA2BRXFP1
SCHEMBL11702624 0.70 ADORA2B (0.57) LMNAALDH1A1SMN1; SMN2MAPK1ADORA2B

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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAOB 669/4885CASP3 1188/4885GAA 640/4885

“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.