SCHEMBL14557787

SCHEMBL14557787

CC(C)CC(=O)N1CCC[C@H]1COc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38

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
SCHEMBL14569594 0.88 ALOX5AP (0.47) ALDH1A1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14557747 0.85 NPSR1 (0.48) ALDH1A1CHRNB2CHRNA4LTA4HNPSR1
SCHEMBL14557756 0.81 DPP4 (0.47) NPSR1IRAK4
SCHEMBL5150212 0.80 ALOX5AP (0.50) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL5150218 0.80 ALOX5AP (0.50) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL14557753 0.80 CHRNB4 (0.45) ALDH1A1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14557802 0.77 DPP4 (0.47) NPSR1IRAK4
SCHEMBL14557792 0.76 DPP4 (0.41) LTA4HIRAK4
SCHEMBL14557820 0.76 DPP4 (0.46) RAB9A
SCHEMBL14557796 0.76 DPP4 (0.48) NPSR1IRAK4NPC1RAB9A

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 2 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

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 ALDH1A1 120/4885CHRNB4 1075/4885CHRNA3 1678/4885

“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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