SCHEMBL4900670

SCHEMBL4900670

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
ATM Q13315 2/20 0.46
MAPT P10636 1/20 0.43
PIN1 Q13526 1/20 0.42
APP P05067 3/20 0.41
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
NR1I2 O75469 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL4890292 1.00 SCN9A (0.47) SCN9AATMMAPTPIN1APP
SCHEMBL683030 0.88 CTSS (0.52) SCN9AATMAPPCTSSCTSK
SCHEMBL4900744 0.86 ATM (0.60) SCN9AATMAPPCYP3A4CTSS
SCHEMBL12336762 0.86 ATM (0.60) SCN9AATMAPPCYP3A4CTSS
SCHEMBL4898325 0.86 ATM (0.60) SCN9AATMAPPCYP3A4CTSS
SCHEMBL13260263 0.84 ATM (0.45) SCN9AATMPIN1APPCTSS
SCHEMBL14870407 0.84 ATM (0.47) SCN9AATMAPPCTSSCTSK
SCHEMBL4728727 0.83 ATM (0.50) SCN9AATMAPPCTSSCTSK
SCHEMBL4901923 0.82 ATM (0.51) SCN9AATMMAPTPIN1APP
SCHEMBL2548016 0.82 ATM (0.51) SCN9AATMMAPTPIN1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR SCN9A 4788/4885ATM 45/4885MAPT 4243/4885

“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.