SCHEMBL5620504

SCHEMBL5620504

O=C1CCC(c2ccc(OC(F)(F)F)cc2)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.46
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CMA1 P23946 2/20 0.38
GPR174 Q9BXC1 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
EPHX1 P07099 1/20 0.37
DDB1 Q16531 3/20 0.37
CRBN Q96SW2 3/20 0.37
HDAC2 Q92769 1/20 0.37
DAO P14920 1/20 0.37
WNT3A P56704 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL5889322 0.96 GRIN2B (0.49) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL4148437 0.96 GRIN2B (0.49) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL14458017 0.85 AR (0.43) GRIN2BL3MBTL1DDB1CRBN
SCHEMBL14474703 0.83 PDE4A (0.40) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL13945021 0.83 PDE4A (0.40) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7045469 0.81 DRD2 (0.43) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL3495660 0.81 DRD2 (0.43) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL22190351 0.79 PARP1 (0.48) PDE4APDE4BPDE4CPDE4DCMA1
SCHEMBL22201144 0.79 PARP1 (0.48) PDE4APDE4BPDE4CPDE4DCMA1
SCHEMBL3657517 0.79 CRBN (0.58) PDE4APDE4BPDE4CPDE4DKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-20040147764-A1 Method for production of delta 1-pyrrolines BAYER CROPSCIENCE AG (DE) 2004-07-29 US disclosed
EP-1379500-A2 METHOD FOR THE PRODUCTION OF $g(D)?1 PYRROLINES Bayer CropScience AG (DE) 2004-01-14 EP disclosed
WO-2002081442-A2 METHOD FOR THE PRODUCTION OF Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2002-10-17 WO 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-20040147764-A1 Method for production of delta 1-pyrrolines AR, NR5A1, SRD5A1 GRIN2B 845/4885PDE4A 1765/4885PDE4B 1989/4885

“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.