SCHEMBL4453785

SCHEMBL4453785

CC1OC(=O)N(C)C1c1ccc(-c2cccc(F)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.46
PGR P06401 6/20 0.41
TNKS2 Q9H2K2 1/20 0.39
F2R P25116 3/20 0.38
TAAR1 Q96RJ0 3/20 0.36
ESR2 Q92731 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL4453781 0.74 GRM2 (0.46) GRM2PGRTNKS2F2RTAAR1
SCHEMBL4450106 0.73 BRD4 (0.35) GRM2
SCHEMBL4458127 0.69 GRM2 (0.38) GRM2BACE1PDE3BPDE3A
SCHEMBL4480095 0.68 CTRC (0.35) GRM2
SCHEMBL4454488 0.66 KDM4E (0.34) GRM2BACE1
SCHEMBL15743932 0.65 FADS1 (0.42) GRM2
SCHEMBL4444398 0.65 PDE3B (0.38) GRM2PGRPDE3BPDE3A
SCHEMBL9926818 0.65 TSHR (0.46)
SCHEMBL257773 0.63 TNKS2 (0.56) PGRTNKS2TAAR1ESR2
SCHEMBL3869130 0.63 PGR (0.72) GRM2PGRTNKS2F2RPDE3B

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 4432/4885PGR 855/4885TNKS2 3381/4885

“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.