SCHEMBL4450106

SCHEMBL4450106

CC1OC(=O)N(C)C1c1ccc(-c2ccccc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
GRM2 Q14416 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MAOA P21397 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4452495 0.84 BRD4 (0.33) BRD4GRM2
SCHEMBL4480095 0.82 CTRC (0.35) BRD4GRM2MAOA
SCHEMBL4454488 0.80 KDM4E (0.34) BRD4GRM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4458127 0.78 GRM2 (0.38) GRM2
SCHEMBL4474719 0.75 PDE3B (0.39)
SCHEMBL4454827 0.74 ESR2 (0.39) BRD4KDM4EMAOA
SCHEMBL4472192 0.73 GRM2 (0.35) GRM2HCRTR1HCRTR2PTGDR2
SCHEMBL4453785 0.73 GRM2 (0.46) GRM2
SCHEMBL4447352 0.73 GRM2 (0.37) GRM2KDM4EALDH1A1
SCHEMBL4460820 0.73 TNKS (0.41) BRD4HTR1AHTR7HTR2BTMEM97

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 BRD4 2170/4885GRM2 4432/4885KDM4E 3280/4885

“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.