SCHEMBL6839728

SCHEMBL6839728

OC(CCl)c1cccnn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
CYP1A2 P05177 1/20 0.35
GOT1 P17174 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL12495184 0.80 TAAR1 (0.41) P2RX7CYP1A2GOT1SLC6A9
SCHEMBL28595047 0.77 GOT1 (0.34) P2RX7CYP1A2GOT1SLC6A9
SCHEMBL4252452 0.77 CYP1A2 (0.40) CYP1A2SLC6A9
SCHEMBL6691295 0.77 HIF1A (0.43) P2RX7CYP1A2
SCHEMBL4269628 0.76
SCHEMBL5763081 0.73 SLC6A2 (0.45) CYP1A2
SCHEMBL5762413 0.73 SLC6A2 (0.45) CYP1A2
SCHEMBL5762415 0.73 SLC6A2 (0.45) CYP1A2
SCHEMBL28748 0.72
SCHEMBL22849136 0.72

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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 P2RX7 4348/4885CYP1A2 2386/4885GOT1 182/4885

“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.