Sugi Predict

Sugi Predict / Compounds / SCHEMBL9966172

SCHEMBL9966172

SCHEMBL9966172

CCc1cc2n(n1)CCOc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.39
▸ MME P08473 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC5A7 Q9GZV3 1/20 0.35
▸ PIK3CA P42336 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GPR142 Q7Z601 1/20 0.32
▸ PRMT5 O14744 2/20 0.32
▸ WDR77 Q9BQA1 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
SCHEMBL9966246 0.92 MME (0.43) GRM5MMEADORA3DRD1SLC5A7
SCHEMBL19204228 0.89 GRM5 (0.38) GRM5MMEADORA3DRD1SLC5A7
SCHEMBL9966410 0.86 MME (0.40) GRM5MMEADORA3DRD1SLC5A7
SCHEMBL14979000 0.81 KDM4E (0.38) MMEADORA3DRD1SLC5A7PIK3CA
SCHEMBL19718327 0.79 MME (0.34) GRM5MMEADORA3DRD1SLC5A7
SCHEMBL14234358 0.79 MME (0.34) GRM5MMEADORA3DRD1SLC5A7
SCHEMBL9974749 0.79 PIK3CA (0.39) GRM5MMEADORA3DRD1SLC5A7
SCHEMBL9979898 0.78 MME (0.46) GRM5MME
SCHEMBL9966174 0.78 MME (0.46) GRM5MME
SCHEMBL9966382 0.78 MME (0.46) GRM5MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771337-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-09-26 — — US disclosed
US-20170088526-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-30 — — US disclosed
US-9388145-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-07-12 — — US disclosed
US-20160016918-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-01-21 — — 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-20120157383-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — US disclosed
US-20120157386-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 (6 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-20120213806-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM5 2818/4885MME 1/4885ADORA3 765/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM5 3026/4885MME 1/4885ADORA3 677/4885
US-20120213807-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB GRM5 3158/4885MME 1/4885ADORA3 592/4885
US-20170088526-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM5 2644/4885MME 1/4885ADORA3 1085/4885
US-20160016918-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM5 3026/4885MME 1/4885ADORA3 677/4885
US-20120157383-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GRM5 3026/4885MME 1/4885ADORA3 677/4885

“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.