SCHEMBL5149767

SCHEMBL5149767

COC(=O)c1ccc(OCN2CCC[C@@H]2OC(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 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
SCHEMBL5149764 0.89 KDM4E (0.51) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL5152988 0.89 KDM4E (0.51) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL5152136 0.88 HRH3 (0.42) KDM4EALDH1A1HRH3MAPK1TSHR
SCHEMBL5152354 0.88 KDM4E (0.50) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL5152169 0.81 KDM4E (0.51) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL5149776 0.79 MAPT (0.47) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL6208120 0.76 KDM4E (0.46) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL5152731 0.76 MAPT (0.49) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL2428990 0.74 KDM4E (0.67) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL5637750 0.73 KDM4E (0.55) KDM4EMAPTRAB9AALDH1A1MEN1

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 5 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-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 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 (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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 KDM4E 695/4885MAPT 3229/4885RAB9A 2282/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 KDM4E 409/4885MAPT 3296/4885RAB9A 1984/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 KDM4E 669/4885MAPT 3414/4885RAB9A 2225/4885

“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.