SCHEMBL765714

SCHEMBL765714

CC(CF)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.68
POLB P06746 2/20 0.49
BCHE P06276 1/20 0.47
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
SLC18A2 Q05940 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 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
SCHEMBL172633 0.81 SIGMAR1 (0.70) SIGMAR1POLBBCHELMNATAAR1
SCHEMBL13675825 0.81 SIGMAR1 (0.70) SIGMAR1POLBBCHELMNATAAR1
N-Benzylamphetamine SCHEMBL2798189 0.81 SIGMAR1 (1.00) SIGMAR1POLBLMNATAAR1SLC18A2
N-Benzylamphetamine SCHEMBL2451256 0.81 SIGMAR1 (1.00) SIGMAR1POLBLMNATAAR1SLC18A2
N-Benzylamphetamine SCHEMBL2795222 0.81 SIGMAR1 (1.00) SIGMAR1POLBLMNATAAR1SLC18A2
SCHEMBL172363 0.81 SIGMAR1 (0.70) SIGMAR1POLBBCHELMNATAAR1
SCHEMBL1515579 0.80 SIGMAR1 (0.53) SIGMAR1POLBLMNAKDM4ECYP3A4
SCHEMBL11971879 0.80 SIGMAR1 (0.53) SIGMAR1POLBBCHEKDM4ECYP3A4
SCHEMBL1515577 0.80 SIGMAR1 (0.53) SIGMAR1POLBBCHEKDM4ECYP3A4
SCHEMBL24801993 0.79 SIGMAR1 (0.68) SIGMAR1POLBBCHELMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO 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
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
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
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 SIGMAR1 4304/4885POLB 1988/4885BCHE 333/4885

“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.