SCHEMBL757194

SCHEMBL757194

COc1cccc(C2CCCC2N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.45
TRPA1 O75762 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
GPR174 Q9BXC1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GID4 Q8IVV7 1/20 0.42

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
SCHEMBL4607545 0.80 SCN1A (0.44) KDM4EALDH1A1HPGDMAPTDDB1
SCHEMBL4607546 0.80 SCN1A (0.44) KDM4EALDH1A1HPGDMAPTDDB1
SCHEMBL31330266 0.80 KDM1A (0.43) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL31406211 0.79 LMNA (0.44) LMNACYP19A1TRPA1KMT2AMEN1
SCHEMBL4607495 0.76 MEN1 (0.45) KMT2AMEN1KDM4EALDH1A1
SCHEMBL4607494 0.76 MEN1 (0.45) KMT2AMEN1KDM4EALDH1A1
SCHEMBL8102189 0.72 L3MBTL1 (0.47) LMNACYP19A1TRPA1KMT2AMEN1
SCHEMBL8102186 0.72 L3MBTL1 (0.47) LMNACYP19A1TRPA1KMT2AMEN1
SCHEMBL25341814 0.72 RAB9A (0.44) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL28817110 0.72 MEN1 (0.44) KMT2AMEN1ALDH1A1HPGDMAPT

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
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP 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 (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 LMNA 709/4885CYP19A1 406/4885TRPA1 1712/4885

“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.