SCHEMBL757090

SCHEMBL757090

C[C@H]1C[C@]2(CCN1CC1CCC1)C(NC1CCCCC1)=NC(=O)N2c1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
CASP3 P42574 1/20 0.35
DRD2 P14416 4/20 0.35
DRD3 P35462 2/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ENPP2 Q13822 1/20 0.33
OPRD1 P41143 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
SLC6A9 P48067 1/20 0.32
SLC6A5 Q9Y345 1/20 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
SCHEMBL757580 1.00 MAPT (0.36) MAPTLMNATP53CASP3DRD2
Hydrochloric Acid SCHEMBL755877 0.99 MAPT (0.35) MAPTLMNATP53CASP3DRD2
SCHEMBL4740733 0.91 KMT2A (0.35) MAPTLMNAMEN1KMT2AOPRD1
SCHEMBL755089 0.91 KMT2A (0.35) MAPTLMNAMEN1KMT2AOPRD1
Hydrochloric Acid SCHEMBL757174 0.90 KMT2A (0.34) MEN1KMT2AOPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL5616268 0.90 KMT2A (0.34) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL764691 0.90 ADORA3 (0.40) OPRD1OPRM1OPRK1OPRL1ADORA3
SCHEMBL765887 0.81 BACE1 (0.41) TP53MEN1HTTKMT2AALDH1A1
SCHEMBL755429 0.81 BACE1 (0.34) OPRD1OPRM1OPRL1ADORA3ADORA2A
SCHEMBL760030 0.81 BACE1 (0.34) OPRD1OPRM1OPRL1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP claimed
EP-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 EP claimed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US claimed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO claimed
WO-2007011810-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO claimed
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-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
WO-2007011810-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 MAPT 12/4885LMNA 709/4885TP53 3781/4885

“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.