SCHEMBL14557874

SCHEMBL14557874

CC(C)CC(=O)N1CCC[C@H]1CN(C)c1ccc(C(=O)O)cc1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 11/20 0.40
▸ DPP8 Q6V1X1 8/20 0.40
▸ CYP2D6 P10635 7/20 0.40
▸ DPP9 Q86TI2 7/20 0.40
▸ DPP7 Q9UHL4 7/20 0.40
▸ GAA P10253 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ OPRK1 P41145 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14557864 0.83 STAT6 (0.41) DPP4DPP8CYP2D6DPP9DPP7
SCHEMBL14557796 0.79 DPP4 (0.48) DPP4DPP8CYP2D6DPP9DPP7
SCHEMBL14557815 0.75 DPP4 (0.45) DPP4DPP8CYP2D6DPP9DPP7
SCHEMBL14557871 0.73 HCAR3 (0.55) KDM4E
SCHEMBL14557769 0.72 NPC1 (0.49) DPP4DPP8DPP9DPP7GAA
SCHEMBL14557743 0.72 HRH3 (0.46) DPP4POLB
SCHEMBL14557802 0.71 DPP4 (0.47) DPP4DPP8DPP9DPP7
SCHEMBL14557756 0.71 DPP4 (0.47) DPP4DPP8DPP9DPP7
SCHEMBL14557767 0.71 NPC1 (0.48) DPP4DPP8DPP9DPP7GAA
SCHEMBL14557747 0.71 NPSR1 (0.48) POLBMAPK1L3MBTL1

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-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-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 DPP4 288/4885DPP8 2475/4885CYP2D6 2291/4885

“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.

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