SCHEMBL14569490

SCHEMBL14569490

CCC(=O)N1CCC[C@H]1COC1CCC(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 18/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL14558048 0.87 ITGB1 (0.41) HCRTR2ITGB1ITGA4
SCHEMBL2465396 0.82 HSD17B10 (0.54) HCRTR2ITGB1ITGA4SMN1; SMN2
SCHEMBL27010064 0.79 POLB (0.41) HCRTR2
SCHEMBL21522575 0.78 ALDH1A1 (0.44) HCRTR2SMN1; SMN2
SCHEMBL14569592 0.77 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL10272737 0.77 ROCK2 (0.46)
SCHEMBL13662567 0.77 ROCK2 (0.46)
SCHEMBL14569751 0.75 DPP4 (0.43) SMN1; SMN2
SCHEMBL14569684 0.75 ITGB1 (0.43) HCRTR2ITGB1ITGA4SMN1; SMN2
SCHEMBL22692664 0.74 HCRTR2 (0.46) HCRTR2

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 HCRTR2 4577/4885ITGB1 8/4885ITGA4 4/4885

“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.