SCHEMBL662822

SCHEMBL662822

COC(=O)CC1CCN(c2ccc(C(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ME3 Q16798 1/20 0.44
LTA4H P09960 1/20 0.44
USP2 O75604 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL22873315 0.85 TDP1 (0.54) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL21464376 0.83 TDP1 (0.51) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL10148279 0.82 USP2 (0.60) TDP1KMT2AMAPTALDH1A1HPGD
SCHEMBL20046317 0.81 KMT2A (0.52) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL13117762 0.81 SMN1; SMN2 (0.48) LMNAKMT2AMAPTALDH1A1HPGD
SCHEMBL9174403 0.80 HTT (0.44) LMNAKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL10148118 0.80 MAPT (0.56) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL22692233 0.79 KMT2A (0.63) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL23783242 0.79 ME3 (0.47) LMNAKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL2527774 0.79 HTT (0.67) KMT2ARAB9AHTT

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
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 LMNA 2889/4885TDP1 2744/4885KMT2A 441/4885

“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.