SCHEMBL4998535

SCHEMBL4998535

COCN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1H2 P55055 2/20 0.41

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
SCHEMBL8242595 0.83 USP2 (0.61) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL2225547 0.83 HSD11B1 (0.49) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL698803 0.82 USP2 (0.69) USP2SMN1; SMN2ALDH1A1HPGDEPHX2
SCHEMBL18294 0.82 USP2 (0.69) USP2SMN1; SMN2ALDH1A1HPGDEPHX2
SCHEMBL863104 0.81 USP2 (0.55) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL5573083 0.81 USP2 (0.55) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL5572609 0.80 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL16810242 0.80 EPHX2 (0.47) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL20742697 0.80 USP2 (0.53) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL20873847 0.80 USP2 (0.53) USP2SMN1; SMN2CHRM2CHRM4CHRM1

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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives POLI, PARP1, DHPS USP2 1916/4885SMN1; SMN2 4448/4885CHRM2 4786/4885

“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.