SCHEMBL1102338

SCHEMBL1102338

CCN1CN(CC)CN(CC)CN(CC)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
CHRNA7 P36544 1/20 0.31
DUSP3 P51452 2/20 0.30
PTPN5 P54829 2/20 0.30
PTPN11 Q06124 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL24454854 1.00
SCHEMBL407168 1.00 SMN1; SMN2 (0.31) SMN1; SMN2CHRNA7DUSP3PTPN5PTPN11
SCHEMBL27631046 0.96
SCHEMBL4450796 0.96 TSHR (0.30)
Dimethylamine SCHEMBL8371583 0.89 KDM4E (0.30)
SCHEMBL5493927 0.86 MAPT (0.30)
SCHEMBL575183 0.84
Diethylamine SCHEMBL9478387 0.83 TP53 (0.50) CYP1A2CYP2C19
SCHEMBL12669729 0.81
Bromide SCHEMBL5145721 0.81 CHRNA7 (0.37) SMN1; SMN2CHRNA7DUSP3PTPN5PTPN11

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-8153784-B2 Imaging of enzyme activity THE GENERAL HOSPITAL CORPORATION (US) 2012-04-10 US disclosed
US-20080044827-A1 Imaging of Enzyme Activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-21 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-20080044827-A1 Imaging of Enzyme Activity GBA3, BCHE, MGAM SMN1; SMN2 828/4885CHRNA7 2023/4885DUSP3 2010/4885

“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.