SCHEMBL6504685

SCHEMBL6504685

C1CCCN(N2CCNC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH1 P35367 1/20 0.31

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
SCHEMBL3531750 1.00 CA2 (0.36) CA2CHKAKDM4EUSP2SMN1; SMN2
SCHEMBL901971 0.97 CA2 (0.32) CA2CHKAKDM4EUSP2SMN1; SMN2
SCHEMBL1513130 0.93 ALDH1A1 (0.43) CA2CHKAKDM4EUSP2SMN1; SMN2
SCHEMBL1256068 0.86 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL336574 0.85 CA2 (0.46) CA2CHKAKDM4EUSP2SMN1; SMN2
SCHEMBL4243756 0.85
SCHEMBL5549254 0.85 HIF1A (0.31) CA2
SCHEMBL232289 0.85
SCHEMBL29883467 0.82 ALDH1A1 (0.39) SMN1; SMN2
Hydrochloric Acid SCHEMBL28035808 0.82 KDM4E (0.44) CA2CHKAKDM4EUSP2SMN1; SMN2

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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 CA2 927/4885CHKA 899/4885KDM4E 4034/4885

“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.