SCHEMBL14828693

SCHEMBL14828693

CC(C)C(c1ccc(F)cc1F)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
IDO1 P14902 3/20 0.37
TDO2 P48775 1/20 0.37
MC4R P32245 1/20 0.36
PDE2A O00408 2/20 0.36
SLC6A2 P23975 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 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
SCHEMBL12490802 0.80 CES2 (0.41) CES2CES1IDO1TDO2MC4R
SCHEMBL14828731 0.76 CYP3A4 (0.36) CES2CES1IDO1TDO2MC4R
SCHEMBL14663950 0.76 CES2 (0.38) CES2CES1IDO1TDO2MC4R
SCHEMBL17897218 0.75 CES2 (0.43) CES2CES1IDO1TDO2MC4R
SCHEMBL17897217 0.75 CES2 (0.43) CES2CES1IDO1TDO2MC4R
SCHEMBL12304048 0.75 CES2 (0.43) CES2CES1IDO1TDO2MC4R
SCHEMBL84105 0.74 CES2 (0.46) CES2CES1IDO1TDO2MC4R
SCHEMBL24938981 0.74 PDE2A (0.61) CES2CES1IDO1TDO2MC4R
Ammonia Solution, Strong SCHEMBL7989997 0.73 CES2 (0.44) CES2CES1IDO1TDO2MC4R
SCHEMBL18243712 0.72 CES2 (0.44) CES2CES1IDO1TDO2MC4R

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-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CES2 1730/4885CES1 361/4885IDO1 2942/4885

“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.