SCHEMBL10225812

SCHEMBL10225812

CCOC(=O)[C@H]1CC[C@H](OCC2C[C@H](N3CC(OC)C3)CN2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 8/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RCE1 Q9Y256 1/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL85480 1.00 MAPT (0.34) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4810028 0.86 MAPT (0.38) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4810022 0.86 MAPT (0.38) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL91570 0.80
SCHEMBL85417 0.80 MEN1 (0.37) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14500102 0.79 MAPT (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14592460 0.77 CHRNB2 (0.37) MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL14592124 0.77 CHRNB2 (0.37) MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL14592462 0.76 MAPT (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL91944 0.74 MEN1 (0.37) MAPTALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4775/4885KDM4E 983/4885ALDH1A1 216/4885

“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.