SCHEMBL3509840

SCHEMBL3509840

CC(C)C(N)C1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8270972 1.00 SLC6A3 (0.34) SLC6A3SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL3509900 0.93 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL4449387 0.82
SCHEMBL23961369 0.77 SLC6A3 (0.36) SLC6A3L3MBTL1
SCHEMBL8309067 0.77
SCHEMBL12384257 0.77
SCHEMBL22414058 0.77 SLC6A3 (0.38) SLC6A3SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL10323326 0.77
SCHEMBL24351608 0.77 SLC6A3 (0.38) SLC6A3SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL943444 0.77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF GHOSH ARUN K 2010-10-21 US disclosed
US-20060234944-A1 Beta-secretase inhibitors and methods of use OKLAHOMA MEDICAL RESEACH FOUNDATION (US) 2006-10-19 US disclosed
US-20040121947-A1 Compounds which inhibit beta-secretase activity and methods of use thereof OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2004-06-24 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 (3 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-20100267609-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE2, BACE1, PSEN2 SLC6A3 4388/4885SMN1; SMN2 1532/4885ALDH1A1 4622/4885
US-20060234944-A1 Beta-secretase inhibitors and methods of use BACE2, BACE1, PSEN2 SLC6A3 4271/4885SMN1; SMN2 1750/4885ALDH1A1 4645/4885
US-20040121947-A1 Compounds which inhibit beta-secretase activity and methods of use thereof BACE2, BACE1, PSEN2 SLC6A3 4188/4885SMN1; SMN2 1639/4885ALDH1A1 4517/4885

“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.