SCHEMBL71446

SCHEMBL71446

CCOC(=O)[C@H]1CC[C@H](OC(N2CCCC2)N2CCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL71447 1.00 ALDH1A1 (0.48) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL72207 0.97 ALDH1A1 (0.51) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL72206 0.96 ALDH1A1 (0.50) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL72208 0.96 ALDH1A1 (0.50) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL71541 0.91 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL72210 0.91 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL71969 0.91 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL73440 0.91 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL72209 0.91 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL71540 0.91 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
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
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 216/4885MAPT 4775/4885POLB 3346/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ALDH1A1 207/4885MAPT 4773/4885POLB 3839/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ALDH1A1 525/4885MAPT 4795/4885POLB 3232/4885

“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.