SCHEMBL5155368

SCHEMBL5155368

CC1(C)O[C@H]2[C@H](CN(C(=O)OCc3ccccc3)[C@@H]2CO)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2C P28335 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PREP P48147 3/20 0.40
ACE2 Q9BYF1 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1G O43497 1/20 0.40

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
SCHEMBL9173427 0.87 AGTR2 (0.47) MEN1KMT2ANPSR1HTR2CPSEN1
SCHEMBL9173431 0.87 AGTR2 (0.47) MEN1KMT2ANPSR1HTR2CPSEN1
SCHEMBL5149957 0.87 AGTR2 (0.47) MEN1KMT2ANPSR1HTR2CPSEN1
SCHEMBL18191959 0.86 PRCP (0.40) MEN1KMT2ANPSR1HTR2CF2
SCHEMBL2621368 0.83 MEN1 (0.53) MEN1KMT2ANPSR1HTR2CPDK1
SCHEMBL5155705 0.82 CHRNB2 (0.40) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL25063583 0.80 MEN1 (0.49) MEN1KMT2ANPSR1HTR2CPDK1
SCHEMBL29546211 0.80 MEN1 (0.49) MEN1KMT2ANPSR1HTR2CPDK1
SCHEMBL8222097 0.79 TMEM97 (0.41) MEN1KMT2ANPSR1CACNA1GCACNA1H
SCHEMBL12216544 0.79 TMEM97 (0.41) MEN1KMT2ANPSR1CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (2 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MEN1 2953/4885KMT2A 1046/4885NPSR1 2506/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MEN1 3283/4885KMT2A 735/4885NPSR1 2578/4885

“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.