SCHEMBL3922208

SCHEMBL3922208

CCOC(=O)CCC(F)(F)CBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TRPA1 O75762 1/20 0.48
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 3/20 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
SCHEMBL1700886 0.88 CYP1A2 (0.48) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL15071341 0.84 CYP1A2 (0.45) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL166315 0.82 CYP1A2 (0.44) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL21853321 0.81 CYP1A2 (0.42) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL26971249 0.81 CYP1A2 (0.42) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL31252287 0.80 TSHR (0.48) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL196812 0.79 CYP1A2 (0.48) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL9438171 0.79 CYP1A2 (0.48) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL21853108 0.78 CYP4F2 (0.46) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL15270397 0.78 CYP1A2 (0.47) ALDH1A1TRPA1CYP1A2GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 US disclosed
WO-2007148185-A2 SUBSTITUTED 3 -AMINO- PYRROLIDINO-4 -LACTAMS AS DPP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-12-27 WO disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 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-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 ALDH1A1 751/4885TRPA1 4547/4885CYP1A2 301/4885

“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.