SCHEMBL757111

SCHEMBL757111

COc1cccc(C2CCCC2N)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.55
HTR2A P28223 2/20 0.55
HTR2B P41595 2/20 0.55
DPP4 P27487 3/20 0.53
SLC9A1 P19634 1/20 0.47
GID4 Q8IVV7 1/20 0.47
KDM1A O60341 2/20 0.44
RCOR1 Q9UKL0 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
DRD2 P14416 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 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
SCHEMBL10263051 1.00 HTR2C (0.55) HTR2CHTR2AHTR2BDPP4SLC9A1
SCHEMBL4259949 1.00 HTR2C (0.55) HTR2CHTR2AHTR2BDPP4SLC9A1
SCHEMBL4253059 0.97 HTR2C (0.55) HTR2CHTR2AHTR2BDPP4SLC9A1
SCHEMBL4253061 0.97 HTR2C (0.55) HTR2CHTR2AHTR2BDPP4SLC9A1
SCHEMBL7096910 0.83 HTR2C (0.66) HTR2CHTR2AHTR2BDPP4SLC9A1
SCHEMBL7865958 0.83 HTR2C (0.66) HTR2CHTR2AHTR2BDPP4SLC9A1
SCHEMBL7096911 0.83 HTR2C (0.66) HTR2CHTR2AHTR2BDPP4SLC9A1
Hydrochloric Acid SCHEMBL7000161 0.81 HTR2C (0.67) HTR2CHTR2AHTR2BDPP4SLC9A1
Hydrochloric Acid SCHEMBL8156348 0.81 HTR2C (0.67) HTR2CHTR2AHTR2BDPP4SLC9A1
Hydrochloric Acid SCHEMBL7000158 0.81 HTR2C (0.67) HTR2CHTR2AHTR2BDPP4SLC9A1

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 9 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-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-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
EP-1833782-B1 CYCLOALKYLAMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 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
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 HTR2C 2501/4885HTR2A 1975/4885HTR2B 1810/4885

“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.