SCHEMBL18610409

SCHEMBL18610409

CC(C)C(=O)N1CCC(C(N)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
LMNA P02545 1/20 0.42
DPP4 P27487 5/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL10311690 0.89 ALDH1A1 (0.55) GAAALDH1A1MAPK1CHRNB2CHRNA3
SCHEMBL4546658 0.89 GAA (0.53) GAAALDH1A1SMN1; SMN2
SCHEMBL3400414 0.87 GAA (0.45) GAAALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL20385047 0.87 GAA (0.45) GAAALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL12233572 0.83 XPNPEP2 (0.45) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL17636777 0.83 CHRNB2 (0.44) ALDH1A1SMN1; SMN2CHRNB2CHRNA3CHRNA4
SCHEMBL3283616 0.83 XPNPEP2 (0.45) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL23119140 0.83 EPHX2 (0.51) GAAALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL20438070 0.79 SMN1; SMN2 (0.54) GAAALDH1A1SMN1; SMN2CHRNB2CHRNA3
SCHEMBL14348122 0.79 SMN1; SMN2 (0.54) GAAALDH1A1SMN1; SMN2CHRNB2CHRNA3

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-10759813-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-01 US disclosed
US-20200031847-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-30 US disclosed
US-9725448-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 US disclosed
US-20170066764-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-09 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 (3 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-10759813-B2 Neprilysin inhibitors MME, REN, ACE GAA 125/4885ALDH1A1 2644/4885MAPK1 1373/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GAA 125/4885ALDH1A1 2644/4885MAPK1 1373/4885
US-20170066764-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB GAA 176/4885ALDH1A1 3379/4885MAPK1 1807/4885

“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.