SCHEMBL10000696

SCHEMBL10000696

CC(C)N1CCN(COC=O)CCN(COC=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
MAOB P27338 4/20 0.34
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM1A O60341 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
KCNH2 Q12809 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
SCHEMBL443253 0.77 PAOX (0.34) SIGMAR1KDM4EALDH1A1TDP1
SCHEMBL10000708 0.77 PAOX (0.34) SIGMAR1KDM4EALDH1A1TDP1
SCHEMBL19361712 0.74 DAO (0.35) DAOMAOBSIGMAR1KDM4EALDH1A1
SCHEMBL28132579 0.73
SCHEMBL5294936 0.73
SCHEMBL17482092 0.73 SLC6A9 (0.36)
SCHEMBL10157511 0.72 SMN1; SMN2 (0.34) DAOMAOBSIGMAR1KDM4EALDH1A1
SCHEMBL3933419 0.72 DAO (0.38) DAOMAOBSIGMAR1KDM4EALDH1A1
SCHEMBL18269523 0.72 RAB9A (0.41) SIGMAR1
SCHEMBL15831762 0.72 MEN1 (0.35) ALDH1A1DRD2DRD3

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-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF SNU R&DB FOUNDATION (KR) 2012-02-02 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-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF DDC, AAAS, DNPEP DAO 44/4885MAOB 4614/4885SIGMAR1 1198/4885

“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.