SCHEMBL91646

SCHEMBL91646

CCO[C@@H]1CN(C)C[C@H]1OCC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SSTR4 P31391 1/20 0.34

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
SCHEMBL14113760 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL91645 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL23640807 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL91652 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL21216441 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL24652830 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL21216219 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL21216142 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL21748925 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL21195805 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2SSTR4

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-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 525/4885SMN1; SMN2 4787/4885SSTR4 1502/4885

“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.