SCHEMBL10246211

SCHEMBL10246211

CN1C(=O)NC(C)(c2cc(F)cc(F)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.44
APP P05067 4/20 0.44
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSD P07339 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL10246065 0.79 ALDH1A1 (0.44) ALDH1A1TSHRGAA
SCHEMBL10246143 0.78 MEN1 (0.39) BACE1APPALDH1A1HCAR3HCAR2
SCHEMBL10246144 0.76 ALDH1A1 (0.50) ALDH1A1CYP2C19GAA
SCHEMBL10246127 0.74 TDP1 (0.39) ALDH1A1
SCHEMBL10246303 0.73 L3MBTL1 (0.38) BACE1CYP2C19CTSD
SCHEMBL14069181 0.73 ALDH1A1 (0.37) BACE1APPALDH1A1
SCHEMBL10246117 0.73 ALDH1A1 (0.37) BACE1APPALDH1A1
SCHEMBL10246364 0.73 ALDH1A1 (0.37) BACE1APPALDH1A1
SCHEMBL15966185 0.72 BACE1 (0.50) BACE1APPTSHRCYP2C19
SCHEMBL20290463 0.71 L3MBTL1 (0.51) BACE1ALDH1A1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL BACE1 921/4885APP 525/4885ALDH1A1 843/4885

“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.