SCHEMBL4394790

SCHEMBL4394790

CCOC(=O)CCN1CCN(C/C=C2\CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LTA4H P09960 1/20 0.33
POLB P06746 1/20 0.33
TMEM97 Q5BJF2 4/20 0.33
SIGMAR1 Q99720 4/20 0.33
HRH1 P35367 3/20 0.33
SLC6A2 P23975 2/20 0.33
HRH2 P25021 2/20 0.33
CHRM1 P11229 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CREBBP Q92793 1/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL4394794 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4ELTA4HPOLB
SCHEMBL4394793 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4ELTA4HPOLB
SCHEMBL4391540 0.93 TMEM97 (0.34) ALDH1A1SMN1; SMN2KDM4ELTA4HPOLB
SCHEMBL4391544 0.93 TMEM97 (0.34) ALDH1A1SMN1; SMN2KDM4ELTA4HPOLB
SCHEMBL4391550 0.93 TMEM97 (0.34) ALDH1A1SMN1; SMN2KDM4ELTA4HPOLB
SCHEMBL4391555 0.92 ALOX15 (0.34) ALDH1A1SMN1; SMN2KDM4ELTA4HUSP2
SCHEMBL4391559 0.92 ALOX15 (0.34) ALDH1A1SMN1; SMN2KDM4ELTA4HUSP2
SCHEMBL4391563 0.92 ALOX15 (0.34) ALDH1A1SMN1; SMN2KDM4ELTA4HUSP2
SCHEMBL4391554 0.90 GAA (0.36) ALDH1A1SMN1; SMN2KDM4ELTA4HGAA
SCHEMBL4391560 0.90 GAA (0.36) ALDH1A1SMN1; SMN2KDM4ELTA4HGAA

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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP 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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 ALDH1A1 2601/4885SMN1; SMN2 3633/4885KDM4E 2035/4885

“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.