SCHEMBL2755233

SCHEMBL2755233

FC(F)(F)c1ccccc1-c1nnc(C2CCNCC2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.52
PLAT P00750 3/20 0.47
CYP1A2 P05177 4/20 0.45
CYP2C19 P33261 3/20 0.45
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
HTR1A P08908 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR2A P28223 1/20 0.41
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.38

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
Hydrochloric Acid SCHEMBL239345 0.99 HTR2C (0.54) HTR2CPLATCYP1A2CYP2C19SLC6A2
SCHEMBL3941345 0.75 HPGDS (0.50) HTR2CPLATHTR2A
SCHEMBL2755237 0.75 HTR2C (0.54) HTR2CPLAT
Hydrochloric Acid SCHEMBL237629 0.74 HTR2C (0.55) HTR2CPLATSLC6A2HTR1ASLC6A3
SCHEMBL2755235 0.74 MEN1 (0.56) HTR2CPLATCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL238482 0.73 HTR2C (0.56) HTR2CPLATCYP1A2CYP2C9
SCHEMBL2755245 0.71 PLAT (0.42) HTR2CPLAT
Tert-Butyl Formate SCHEMBL27752005 0.71 HPGDS (0.39) HTR2CPLATHTR2A
SCHEMBL238932 0.70 PLAT (0.43) PLATCYP1A2SLC6A2SLC6A4HTR1A
SCHEMBL31429068 0.70 HSD11B1 (0.45) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 HTR2C 4004/4885PLAT 1906/4885CYP1A2 4093/4885

“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.