SCHEMBL4458127

SCHEMBL4458127

CC1OC(=O)N(C)C1c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.38
HTR2A P28223 1/20 0.38
PTGS1 P23219 3/20 0.37
MEN1 O00255 2/20 0.37
PTGS2 P35354 2/20 0.37
KMT2A Q03164 2/20 0.37
FABP2 P12104 1/20 0.37
TSHR P16473 1/20 0.37
AKR1C4 P17516 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4444398 0.88 PDE3B (0.38) GRM2HTR2AMEN1KMT2ATSHR
SCHEMBL4454827 0.86 ESR2 (0.39) MEN1KMT2APDE3BPDE3ABACE1
SCHEMBL4447352 0.85 GRM2 (0.37) GRM2MEN1KMT2AHSD17B10
SCHEMBL4474719 0.84 PDE3B (0.39) PDE3BPDE3A
SCHEMBL4445385 0.84 PGR (0.40) GRM2MEN1KMT2ATSHRMAPT
SCHEMBL4469790 0.84 PTGDR2 (0.35) GRM2MEN1KMT2ALMNAHPGD
SCHEMBL4472192 0.82 GRM2 (0.35) GRM2PDE3BPDE3A
SCHEMBL4453552 0.81 BRD4 (0.35) PTGS2LMNAMAPTHPGDNPC1
SCHEMBL4460630 0.81 GRM2 (0.41) GRM2KMT2ATSHRLMNAMAPT
SCHEMBL4445299 0.81 ALDH1A1 (0.39) PTGS1MEN1KMT2ALMNAMAPT

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 GRM2 4432/4885HTR2A 599/4885PTGS1 687/4885

“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.