SCHEMBL829416

SCHEMBL829416

CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.53
▸ HCRTR2 O43614 1/20 0.53
▸ TACR1 P25103 3/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KLK7 P49862 1/20 0.47
▸ UTS2R Q9UKP6 1/20 0.46
▸ UCHL1 P09936 2/20 0.45
▸ RORC P51449 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL829415 1.00 RIPK1 (0.53) RIPK1HCRTR2TACR1MEN1KMT2A
SCHEMBL829414 1.00 RIPK1 (0.53) RIPK1HCRTR2TACR1MEN1KMT2A
SCHEMBL4247824 0.92 TACR1 (0.50) RIPK1HCRTR2TACR1MEN1KMT2A
SCHEMBL1594223 0.92 TACR1 (0.50) RIPK1HCRTR2TACR1MEN1KMT2A
SCHEMBL1594226 0.92 TACR1 (0.50) RIPK1HCRTR2TACR1MEN1KMT2A
SCHEMBL16747341 0.92 TACR1 (0.50) RIPK1HCRTR2TACR1MEN1KMT2A
SCHEMBL24700138 0.85 RIPK1 (0.52) RIPK1HCRTR2MEN1KMT2AKLK7
SCHEMBL829779 0.84 RIPK1 (0.51) RIPK1HCRTR2MEN1KMT2AKLK7
SCHEMBL829709 0.84 RIPK1 (0.51) RIPK1HCRTR2MEN1KMT2AKLK7
SCHEMBL829778 0.84 RIPK1 (0.51) RIPK1HCRTR2MEN1KMT2AKLK7

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-8143405-B2 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp (US) 2012-03-27 — — US disclosed
EP-2077719-B1 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 — — EP disclosed
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2010-02-18 — — US disclosed
EP-2077719-A2 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck and Co., Inc. (US) 2009-07-15 — — EP disclosed
WO-2008036316-A2 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-27 — — 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 (1 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-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, PSEN1 RIPK1 2534/4885HCRTR2 1866/4885TACR1 443/4885

“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.

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