SCHEMBL9974747

SCHEMBL9974747

CC(C)c1cc2nn1CCOc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.43
PIK3CA P42336 5/20 0.43
GRM5 P41594 4/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NOTUM Q6P988 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32

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
SCHEMBL15474174 0.81 PIK3CA (0.43) MMEPIK3CAGRM5PDCD1CD274
SCHEMBL9966275 0.78 MME (0.41) MMEPIK3CAGRM5PDCD1CD274
SCHEMBL9963904 0.78 MME (0.39) MMEPIK3CAGRM5PDCD1CD274
SCHEMBL9974749 0.76 PIK3CA (0.39) MMEPIK3CAGRM5NOTUMPIK3CD
SCHEMBL21650118 0.70 PIK3CA (0.37) MMEPIK3CAGRM5NOTUMPIK3CD
SCHEMBL14979000 0.70 KDM4E (0.38) MMEPIK3CAMAPTNOTUMPIK3CB
SCHEMBL9963883 0.67 ADORA3 (0.35) MMEPIK3CAGRM5NOTUMPIK3CB
SCHEMBL9966172 0.67 GRM5 (0.39) MMEPIK3CAGRM5THRBNOTUM
SCHEMBL14212421 0.65 ITGB2 (0.39) PIK3CANOTUMITGB2ICAM1ITGAL
SCHEMBL30122993 0.65 ITGB2 (0.39) PIK3CANOTUMITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 US disclosed
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-9688692-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-27 US disclosed
US-20170022219-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-26 US disclosed
WO-2012082853-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 WO 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 (4 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 MME 1/4885PIK3CA 3962/4885GRM5 3026/4885
US-20170022219-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885PIK3CA 3962/4885GRM5 3026/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885PIK3CA 3962/4885GRM5 3026/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885PIK3CA 3962/4885GRM5 3026/4885

“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.