SCHEMBL85417

SCHEMBL85417

CCOC(=O)[C@H]1CC[C@H](OC[C@@H]2C[C@H](N3CC(OC)C3)CN2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 8/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL10225804 0.89 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL91944 0.82 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL10225788 0.82 MAPT (0.40) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL84822 0.82 MAPT (0.40) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL85236 0.82 MAPT (0.40) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL85480 0.80 MAPT (0.34) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL10225812 0.80 MAPT (0.34) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL14592457 0.78 ITGB1 (0.38) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL85318 0.76 MAPT (0.35) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL85319 0.74 PKM (0.37) MEN1KMT2AMAPTALDH1A1CYP2C19

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 MEN1 4226/4885KMT2A 881/4885MAPT 4795/4885

“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.