SCHEMBL4387291

SCHEMBL4387291

O=C1CN(C/C=C2\CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)CCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
VCP P55072 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
KCNA3 P22001 1/20 0.32
GRM5 P41594 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
KMT2A Q03164 1/20 0.30
SLC2A1 P11166 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
CYP2D6 P10635 3/20 0.30
KCNH2 Q12809 2/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL4387295 1.00 SMN1; SMN2 (0.34) SMN1; SMN2L3MBTL1VCPTRPV4KCNA3
SCHEMBL4387299 1.00 SMN1; SMN2 (0.34) SMN1; SMN2L3MBTL1VCPTRPV4KCNA3
SCHEMBL4388438 0.82 TRPV4 (0.32) SMN1; SMN2L3MBTL1TRPV4CHRM2CHRM3
SCHEMBL4388441 0.82 TRPV4 (0.32) SMN1; SMN2L3MBTL1TRPV4CHRM2CHRM3
SCHEMBL4388433 0.82 TRPV4 (0.32) SMN1; SMN2L3MBTL1TRPV4CHRM2CHRM3
SCHEMBL4387286 0.81 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL4387293 0.81 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL4387289 0.81 CHRM2 (0.39) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL4387167 0.79 MEN1 (0.40) SMN1; SMN2KMT2AOPRM1
SCHEMBL4387172 0.79 MEN1 (0.40) SMN1; SMN2KMT2AOPRM1

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 SMN1; SMN2 3633/4885L3MBTL1 709/4885VCP 4735/4885

“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.