SCHEMBL14569591

SCHEMBL14569591

CCC(=O)N1CCC[C@H]1CNc1ccc(C(=O)O)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.45
▸ DPP4 P27487 4/20 0.45
▸ DPP8 Q6V1X1 4/20 0.45
▸ DPP9 Q86TI2 4/20 0.45
▸ DPP7 Q9UHL4 4/20 0.45
▸ P4HTM Q9NXG6 5/20 0.42
▸ TRPV1 Q8NER1 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ DGAT1 O75907 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL14557943 0.88 DPP4 (0.49) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL14611025 0.88 DPP4 (0.47) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL20836015 0.83 FPR3 (0.46) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL20836013 0.83 FPR3 (0.46) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL14610876 0.82 EPHX2 (0.48) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL14569599 0.82 EPHX2 (0.48) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL14558379 0.74 ITGA4 (0.65) DGAT1
SCHEMBL5151591 0.74 ITGA4 (0.65) DGAT1
SCHEMBL28581838 0.74 FPR3 (0.45) CYP2D6DPP4DPP8DPP9DPP7
SCHEMBL28581840 0.74 FPR3 (0.45) CYP2D6DPP4DPP8DPP9DPP7

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 1 patent. 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

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 CYP2D6 2291/4885DPP4 288/4885DPP8 2475/4885

“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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