Sugi Predict

Sugi Predict / Compounds / SCHEMBL3479516

SCHEMBL3479516

SCHEMBL3479516

C[C@H]1C[C@]2(CCN1C(=O)O)C(N)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.39
▸ METAP2 P50579 1/20 0.35
▸ BACE1 P56817 6/20 0.35
▸ USP2 O75604 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ADAMTS5 Q9UNA0 3/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP14 P50281 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33

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
SCHEMBL3893080 1.00 MAPK14 (0.39) MAPK14METAP2BACE1USP2CYP1A2
SCHEMBL4249026 0.87 KCNJ6 (0.35) METAP2BACE1USP2CYP1A2CYP3A4
SCHEMBL3479619 0.87 KCNJ6 (0.35) METAP2BACE1USP2CYP1A2CYP3A4
SCHEMBL2819818 0.86 KDM4E (0.40) METAP2BACE1OPRM1KCNH2SIGMAR1
SCHEMBL2819817 0.86 KDM4E (0.40) METAP2BACE1OPRM1KCNH2SIGMAR1
SCHEMBL3891190 0.86 CYP3A4 (0.36) METAP2BACE1USP2CYP1A2CYP3A4
SCHEMBL3891195 0.86 CYP3A4 (0.36) METAP2BACE1USP2CYP1A2CYP3A4
SCHEMBL5326122 0.82 ADORA3 (0.39) BACE1KMT2AALDH1A1BACE2
SCHEMBL14248524 0.81 ADAMTS5 (0.36) METAP2BACE1USP2CYP1A2CYP3A4
SCHEMBL3887599 0.81 HPGDS (0.34) BACE1BACE2KCNJ6KCNJ5KCNJ3

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 MAPK14 3351/4885METAP2 573/4885BACE1 1/4885
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 MAPK14 3351/4885METAP2 573/4885BACE1 1/4885

“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.