SCHEMBL9974749

SCHEMBL9974749

CC(C)c1cc2n(n1)CCOc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.39
MME P08473 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
DRD1 P21728 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
NOTUM Q6P988 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32
GRM5 P41594 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL21650118 0.91 PIK3CA (0.37) PIK3CAMMEADORA3DRD1SLC5A7
SCHEMBL18409004 0.85 MME (0.41) PIK3CAMMEADORA3DRD1SLC5A7
SCHEMBL20374812 0.83 MME (0.42) PIK3CAMMEADORA3DRD1SLC5A7
SCHEMBL14979000 0.82 KDM4E (0.38) PIK3CAMMEADORA3DRD1SLC5A7
SCHEMBL9966172 0.79 GRM5 (0.39) PIK3CAMMEADORA3DRD1SLC5A7
SCHEMBL9963883 0.79 ADORA3 (0.35) PIK3CAMMEADORA3DRD1SLC5A7
SCHEMBL23119120 0.78 MME (0.47) PIK3CAMME
SCHEMBL19204228 0.77 GRM5 (0.38) PIK3CAMMEADORA3DRD1SLC5A7
SCHEMBL9974747 0.76 MME (0.43) PIK3CAMMENOTUMITGB2ICAM1
SCHEMBL19718327 0.75 MME (0.34) PIK3CAMMEADORA3DRD1SLC5A7

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-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-20170320895-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-09 US disclosed
US-9688692-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-27 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 (2 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-20170320895-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PIK3CA 3962/4885MME 1/4885ADORA3 677/4885
US-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PIK3CA 2458/4885MME 1/4885ADORA3 1085/4885

“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.