SCHEMBL22639146

SCHEMBL22639146

CC(C)(C)C(=O)N1C(O)CC[C@H]1Cc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
RIPK1 Q13546 1/20 0.39
SLC6A7 Q99884 4/20 0.39
RORC P51449 1/20 0.39
SLC6A3 Q01959 2/20 0.38
MAOB P27338 3/20 0.38
MCHR1 Q99705 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
SCN5A Q14524 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 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
SCHEMBL10251800 0.87 RIPK1 (0.38) RIPK1
SCHEMBL19190271 0.86 STS (0.39) GRM2TAAR1RORC
SCHEMBL21310317 0.84 GRM2 (0.40) GRM2TAAR1RIPK1SLC6A7RORC
SCHEMBL14900527 0.80 GRM2 (0.43) GRM2TAAR1RIPK1SLC6A7RORC
SCHEMBL18691797 0.79 GRM2 (0.42) GRM2TAAR1RIPK1SLC6A7RORC
SCHEMBL14890375 0.79 GRM2 (0.42) GRM2TAAR1RIPK1SLC6A7RORC
SCHEMBL14919044 0.79 GRM2 (0.42) GRM2TAAR1RIPK1SLC6A7RORC
SCHEMBL19190348 0.77 GRM2 (0.43) GRM2TAAR1RIPK1SLC6A7RORC
SCHEMBL10253643 0.74 ABCB1 (0.43)
SCHEMBL1909822 0.73 USP30 (0.43)

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-11174219-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-11-16 US disclosed
US-20210155576-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
US-10829438-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-11-10 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-11174219-B2 Neprilysin inhibitors MME, REN, ACE GRM2 4073/4885TAAR1 595/4885RIPK1 3609/4885
US-10829438-B2 Neprilysin inhibitors MME, REN, ACE GRM2 4073/4885TAAR1 595/4885RIPK1 3609/4885
US-20210155576-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM2 4073/4885TAAR1 595/4885RIPK1 3609/4885

“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.