SCHEMBL4463974

SCHEMBL4463974

CCN(CC)C(=O)Oc1ccc(C(CCO)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SRD5A1 P18405 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 2/20 0.37
ELANE P08246 1/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 1/20 0.34
NPY5R Q15761 1/20 0.34
HPGD P15428 1/20 0.34
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL3866462 0.89 RAB9A (0.47) KMT2ALMNARAB9ABCHEALDH1A1
SCHEMBL3866007 0.81 RAB9A (0.44) MEN1KMT2ARAB9ABCHEALDH1A1
SCHEMBL27787946 0.80 CHRNB2 (0.46) NPY5RMMP13
SCHEMBL4463979 0.80 HSD17B10 (0.43) MEN1KMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL3870763 0.77 ALOX5 (0.49) NPY5R
SCHEMBL3866063 0.76 ACHE (0.52) BCHE
SCHEMBL3864522 0.76 ACHE (0.48) MEN1KMT2ABCHE
SCHEMBL3870281 0.74 ACHE (0.40) MEN1KMT2ALMNAL3MBTL1MAOA
SCHEMBL6950634 0.74 RAB9A (0.53) KMT2ARAB9ABCHENPY5RALDH1A1
SCHEMBL3863973 0.73 ACHE (0.45) RAB9ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 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-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 MEN1 2350/4885KMT2A 2146/4885SMN1; SMN2 834/4885

“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.