SCHEMBL1078745

SCHEMBL1078745

CN(C)CCNC(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ACHE P22303 1/20 0.51
CHRM2 P08172 1/20 0.50
GRIN2B Q13224 1/20 0.48
BACE1 P56817 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL1062524 0.90 MEN1 (0.58) MEN1KMT2AACHECHRM2GRIN2B
SCHEMBL1078739 0.90 MEN1 (0.57) MEN1KMT2AACHECHRM2GRIN2B
SCHEMBL1063078 0.90 MEN1 (0.56) MEN1KMT2AACHECHRM2GRIN2B
SCHEMBL3831715 0.85 ACHE (0.57) MEN1KMT2AACHECHRM2SMN1; SMN2
SCHEMBL1063365 0.85 MEN1 (0.66) MEN1KMT2AGRIN2BSMN1; SMN2ALDH1A1
SCHEMBL1063370 0.85 MEN1 (0.66) MEN1KMT2ACHRM2GRIN2BSMN1; SMN2
SCHEMBL1079888 0.85 MAPK14 (0.63) MEN1KMT2AACHESMN1; SMN2ALDH1A1
SCHEMBL14337827 0.84 MEN1 (0.66) MEN1KMT2ACHRM2GRIN2BSMN1; SMN2
SCHEMBL14559862 0.84 LMNA (0.62) MEN1KMT2AACHECHRM2SMN1; SMN2
SCHEMBL1063934 0.84 MEN1 (0.54) MEN1KMT2ACHRM2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 US disclosed
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 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-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE IFNAR1, EPOR, HBB MEN1 3843/4885KMT2A 4668/4885ACHE 4001/4885

“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.