SCHEMBL8406378

SCHEMBL8406378

CC(C)(C)OC(=O)Nc1cccc2nc(N3CCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)sc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LCK P06239 3/20 0.33
ITGAL P20701 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
P2RX7 Q99572 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 2/20 0.32
CYP3A4 P08684 2/20 0.32
SCN9A Q15858 2/20 0.32
CRBN Q96SW2 2/20 0.32
BRAF P15056 1/20 0.32
RAB9A P51151 1/20 0.32
P2RY1 P47900 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL6112955 0.87 TSHR (0.35) ITGALNPC1RAB9AP2RY1TP53
SCHEMBL8406350 0.80 RXFP1 (0.35) RXFP1HSP90AA1HSP90AB1CNR1CNR2
SCHEMBL6113104 0.79 SCD (0.33) ITGALCRBN
SCHEMBL2857196 0.72 CRBN (0.31) NPC1CRBNRAB9AMAPT
SCHEMBL13219719 0.69 EPHX2 (0.39) P2RX7BRAF
SCHEMBL30189578 0.67 LCK (0.44) RXFP1LCKBRD4NPC1RAB9A
SCHEMBL19782774 0.67 LCK (0.44) RXFP1LCKBRD4NPC1RAB9A
SCHEMBL13219732 0.64 PIK3CD (0.32)
SCHEMBL169850 0.64 P2RX7 (0.34) P2RX7
SCHEMBL2308941 0.64 CNR2 (0.33) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR RXFP1 2234/4885HSP90AA1 1623/4885HSP90AB1 1776/4885

“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.