SCHEMBL85153

SCHEMBL85153

[CH2-][NH+]1CCN(C(=O)CCC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
GNAI3 P08754 4/20 0.40
GNAI1 P63096 4/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 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
SCHEMBL84643 0.83 BLM (0.42) L3MBTL1MEN1KMT2ATDP1CHRNB2
SCHEMBL10663507 0.80 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ATDP1CHRNB2
SCHEMBL674671 0.80
SCHEMBL13341338 0.78 NPSR1 (0.37) L3MBTL1MEN1KMT2ATDP1ALDH1A1
SCHEMBL12457130 0.77 TDP1 (0.50) L3MBTL1MEN1KMT2ATDP1CHRNB2
SCHEMBL9762642 0.76
SCHEMBL805464 0.76 L3MBTL1 (0.72) L3MBTL1MEN1KMT2ATDP1CHRNB2
SCHEMBL3839653 0.74 L3MBTL1 (0.73) L3MBTL1MEN1KMT2ATDP1CHRNB2
SCHEMBL84806 0.74 L3MBTL1 (0.73) L3MBTL1MEN1KMT2ATDP1CHRNB2
Hydrochloric Acid SCHEMBL28021541 0.74 L3MBTL1 (0.69) L3MBTL1MEN1KMT2ATDP1CHRNB2

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-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

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 L3MBTL1 2703/4885MEN1 4254/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 L3MBTL1 3136/4885MEN1 4337/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 L3MBTL1 2411/4885MEN1 4226/4885KMT2A 881/4885

“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.