SCHEMBL91652

SCHEMBL91652

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SSTR4 P31391 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
SCHEMBL91646 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL14113760 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL91645 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL23640807 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SSTR4
SCHEMBL21651980 0.79 RET (0.32)
SCHEMBL17918946 0.79 GLB1 (0.34)
SCHEMBL14900456 0.77 GBA1 (0.46) ALDH1A1
SCHEMBL10052432 0.77 GBA1 (0.46) ALDH1A1
SCHEMBL15472142 0.77 GBA1 (0.46) ALDH1A1
SCHEMBL14890076 0.77 GBA1 (0.46) ALDH1A1

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.