Sugi Predict

Sugi Predict / Compounds / SCHEMBL3479619

SCHEMBL3479619

SCHEMBL3479619

CNC1=NC(=O)N(c2cccc(F)c2)[C@@]12CCN(C(=O)O)[C@@H](C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 2/20 0.35
▸ KCNJ3 P48549 2/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ BACE1 P56817 4/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PLD2 O14939 4/20 0.33
▸ PLD1 Q13393 4/20 0.33
▸ MMP2 P08253 2/20 0.32
▸ ADAMTS5 Q9UNA0 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
SCHEMBL4249026 1.00 KCNJ6 (0.35) KCNJ6KCNJ3KCNJ5BACE1BACE2
SCHEMBL5326122 0.88 ADORA3 (0.39) BACE1BACE2KMT2ALMNAALDH1A1
SCHEMBL3893080 0.87 MAPK14 (0.39) KCNJ6KCNJ3KCNJ5BACE1BACE2
SCHEMBL3479516 0.87 MAPK14 (0.39) KCNJ6KCNJ3KCNJ5BACE1BACE2
SCHEMBL756120 0.86 PDK1 (0.38) BACE1METAP2
SCHEMBL3887599 0.86 HPGDS (0.34) KCNJ6KCNJ3KCNJ5BACE1BACE2
SCHEMBL3492314 0.86 HPGDS (0.34) KCNJ6KCNJ3KCNJ5BACE1BACE2
SCHEMBL5616293 0.85 BACE1 (0.35) KCNJ6KCNJ3KCNJ5BACE1BACE2
SCHEMBL5616430 0.85 BACE1 (0.35) KCNJ6KCNJ3KCNJ5BACE1BACE2
SCHEMBL594592 0.84 CYP3A4 (0.41) KCNJ6KCNJ3KCNJ5ENPP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 — — US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 — — US disclosed
EP-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 — — EP disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 — — WO disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 — — 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 (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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 KCNJ6 1547/4885KCNJ3 1632/4885KCNJ5 738/4885
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 KCNJ6 1547/4885KCNJ3 1632/4885KCNJ5 738/4885

“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.