SCHEMBL6805700

SCHEMBL6805700

CCc1nn(C[C@@H]2CCCN2C)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HRH1 P35367 17/20 0.41
ADRA1A P35348 13/20 0.41
ADRA1B P35368 12/20 0.41
HRH3 Q9Y5N1 7/20 0.39
KCNH2 Q12809 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 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
SCHEMBL6631333 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HRH1ADRA1AADRA1B
SCHEMBL6810247 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HRH1ADRA1AADRA1B
SCHEMBL6802422 0.83 HRH1 (0.44) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL6629463 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KCNH2
SCHEMBL6806280 0.80 HRH1 (0.39) SMN1; SMN2HRH1ADRA1AADRA1BHRH3
SCHEMBL28038421 0.77 SMN1; SMN2 (0.60) SMN1; SMN2
SCHEMBL6629811 0.77 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL3579717 0.76 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL6357080 0.74 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL28038719 0.74 SMN1; SMN2 (0.56) 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 SMN1; SMN2 2159/4885HRH1 592/4885ADRA1A 136/4885

“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.