SCHEMBL6806280

SCHEMBL6806280

CCc1c([N+](=O)[O-])c(C(N)=O)nn1C[C@H]1CCCN1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.39
ADRA1A P35348 9/20 0.39
ADRA1B P35368 8/20 0.39
HRH3 Q9Y5N1 5/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 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
SCHEMBL6806899 0.87 MEN1 (0.36) SMN1; SMN2
SCHEMBL6629342 0.87 MEN1 (0.36) SMN1; SMN2
SCHEMBL6806620 0.83 HRH1 (0.39) HRH1ADRA1AADRA1BHRH3CHRNB2
SCHEMBL6629620 0.83 SMN1; SMN2 (0.38) SMN1; SMN2KCNH2
SCHEMBL6805700 0.80 SMN1; SMN2 (0.46) HRH1ADRA1AADRA1BHRH3CHRNB2
SCHEMBL6442557 0.77 SMN1; SMN2 (0.43) SMN1; SMN2
SCHEMBL6811222 0.77 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL3579847 0.76 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL27492967 0.75 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL6363517 0.74 GAA (0.46) SMN1; SMN2

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-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A HRH1 592/4885ADRA1A 136/4885ADRA1B 308/4885

“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.