SCHEMBL14569693

SCHEMBL14569693

CN(CCN1CCN(CC(=O)O)CC1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 2/20 0.50
HTR6 P50406 1/20 0.47
OPRM1 P35372 2/20 0.46
ACHE P22303 2/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL14569800 0.83 SIGMAR1 (0.49) SIGMAR1MEN1ALDH1A1POLBKMT2A
SCHEMBL408760 0.83 KMT2A (0.44) SIGMAR1MEN1ALDH1A1POLBKMT2A
SCHEMBL14558149 0.82 MEN1 (0.48) SIGMAR1MEN1ALDH1A1POLBKMT2A
SCHEMBL463093 0.82 ALDH1A1 (0.44) SIGMAR1MEN1ALDH1A1POLBKMT2A
SCHEMBL13306955 0.82 SIGMAR1 (0.73) SIGMAR1MAOBCARM1PRMT6PRMT8
SCHEMBL14569583 0.81 ACHE (0.57) OPRM1ACHEBCHE
SCHEMBL792219 0.80 SIGMAR1 (0.71) SIGMAR1MAOB
SCHEMBL7934310 0.80 ALDH1A1 (0.43) SIGMAR1MEN1ALDH1A1POLBKMT2A
SCHEMBL12680198 0.79 ALDH1A1 (0.71) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8694185 0.79 SIGMAR1 (0.69) SIGMAR1MAOB

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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 SIGMAR1 3649/4885MEN1 3283/4885ALDH1A1 120/4885

“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.