SCHEMBL593161

SCHEMBL593161

O=C1N=C(NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.59
BACE2 Q9Y5Z0 1/20 0.48
SIGMAR1 Q99720 2/20 0.43
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
CACNA1G O43497 1/20 0.40
ACKR3 P25106 1/20 0.39
DOCK5 Q9H7D0 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL593769 0.95 BACE1 (0.54) BACE1BACE2SIGMAR1ALDH1A1KMT2A
SCHEMBL593317 0.94 BACE1 (0.62) BACE1BACE2SIGMAR1CYP2D6MAPK1
SCHEMBL593795 0.93 BACE1 (0.54) BACE1BACE2SIGMAR1CYP2D6ALDH1A1
SCHEMBL592391 0.93 BACE1 (0.50) BACE1BACE2SIGMAR1MAPK1CACNA1G
SCHEMBL592531 0.92 BACE1 (0.51) BACE1BACE2SIGMAR1ALDH1A1OPRM1
SCHEMBL592595 0.91 BACE1 (0.50) BACE1BACE2SIGMAR1ALDH1A1KMT2A
SCHEMBL592940 0.91 BACE1 (0.50) BACE1BACE2ALDH1A1KMT2AACKR3
SCHEMBL593365 0.91 BACE1 (0.50) BACE1BACE2SIGMAR1ALDH1A1KMT2A
SCHEMBL593471 0.91 BACE1 (0.50) BACE1BACE2SIGMAR1ALDH1A1KMT2A
SCHEMBL593058 0.91 BACE1 (0.50) BACE1BACE2SIGMAR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US claimed
EP-1804794-B1 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
EP-1804794-B1 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
WO-2006044497-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER’S DISEASE MERCK & CO., INC. (US) 2006-04-27 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-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885SIGMAR1 3672/4885

“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.