SCHEMBL13106578

SCHEMBL13106578

CB(O)N1CCC[C@@H](COS(C)(=O)=O)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13888947 1.00 DPP4 (0.31) DPP4PREPFAPALDH1A1SMN1; SMN2
SCHEMBL13003441 0.81 — —
SCHEMBL14254659 0.79 CYP2D6 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL1991577 0.78 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL2587295 0.75 CYP4F2 (0.45) ALDH1A1
SCHEMBL3596666 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3261975 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL31637322 0.75 CYP4F2 (0.42) ALDH1A1
SCHEMBL1710403 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL13888946 0.74 EPHX2 (0.38) ALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 — — US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 — — US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 — — 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-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 DPP4 3725/4885PREP 622/4885FAP 2416/4885

“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.

Send feedback