Sugi Predict

Sugi Predict / Compounds / SCHEMBL9963883

SCHEMBL9963883

SCHEMBL9963883

CC(C)(C)c1cc2n(n1)CCOc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC5A7 Q9GZV3 1/20 0.35
▸ MME P08473 2/20 0.34
▸ PIK3CA P42336 5/20 0.33
▸ PIK3CB P42338 3/20 0.33
▸ PIK3CG P48736 3/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GRN P28799 1/20 0.31
▸ SORT1 Q99523 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL9963881 0.92 MME (0.41) ADORA3DRD1SLC5A7MMEPIK3CA
SCHEMBL19718327 0.87 MME (0.34) ADORA3DRD1SLC5A7MMEPIK3CA
SCHEMBL14234358 0.87 MME (0.34) ADORA3DRD1SLC5A7MMEPIK3CA
SCHEMBL9963886 0.86 MME (0.38) ADORA3DRD1SLC5A7MMEGRM5
SCHEMBL21650125 0.85 MME (0.33) ADORA3DRD1SLC5A7MMEPIK3CA
SCHEMBL14979000 0.81 KDM4E (0.38) ADORA3DRD1SLC5A7MMEPIK3CA
SCHEMBL20374872 0.81 CNR2 (0.35) MME
SCHEMBL9974749 0.79 PIK3CA (0.39) ADORA3DRD1SLC5A7MMEPIK3CA
SCHEMBL9963907 0.78 MME (0.44) MMEGRM5GRNSORT1
SCHEMBL9963906 0.78 MME (0.44) MMEGRM5GRNSORT1

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 60 patents — showing the first 20. 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-10336773-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-07-02 — — US disclosed
US-20180194776-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-20180194776-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 — — US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 — — US disclosed
US-20180051023-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-02-22 — — US disclosed
US-20180051023-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-02-22 — — US disclosed
US-20180050052-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-02-22 — — US disclosed
US-20180050052-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-02-22 — — US disclosed
US-20130261316-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2013-10-03 — — US disclosed
US-20130245260-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2013-09-19 — — US disclosed
US-8481044-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-07-09 — — US disclosed
US-8449890-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-05-28 — — US disclosed
US-20120309724-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 — — US disclosed
US-20120213806-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-08-23 — — US disclosed
US-20120213807-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-08-23 — — US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — US disclosed
US-20120157383-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — US disclosed
US-20120157383-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — 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 (13 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-20120309724-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 1085/4885DRD1 1527/4885SLC5A7 1271/4885
US-20120213806-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 765/4885DRD1 1656/4885SLC5A7 1528/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 677/4885DRD1 1608/4885SLC5A7 1438/4885
US-20180050052-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 765/4885DRD1 1656/4885SLC5A7 1528/4885
US-20120213807-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB ADORA3 592/4885DRD1 1438/4885SLC5A7 1717/4885
US-20130261316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 765/4885DRD1 1656/4885SLC5A7 1528/4885
US-10336773-B2 Neprilysin inhibitors MME, REN, ACE ADORA3 677/4885DRD1 1608/4885SLC5A7 1438/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 677/4885DRD1 1608/4885SLC5A7 1438/4885
US-20180194776-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 677/4885DRD1 1608/4885SLC5A7 1438/4885
US-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 1085/4885DRD1 1527/4885SLC5A7 1271/4885
US-20120157383-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ADORA3 677/4885DRD1 1608/4885SLC5A7 1438/4885
US-20130245260-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB ADORA3 592/4885DRD1 1438/4885SLC5A7 1717/4885
US-20180051023-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB ADORA3 592/4885DRD1 1438/4885SLC5A7 1717/4885

“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.