SCHEMBL6802422

SCHEMBL6802422

CCc1nn(C[C@@H]2CCCN2C)c(C(N)=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.44
ADRA1A P35348 15/20 0.44
ADRA1B P35368 13/20 0.44
HRH3 Q9Y5N1 9/20 0.43
KCNH2 Q12809 2/20 0.40

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
SCHEMBL6632459 0.86 BTK (0.33) HRH1ADRA1AADRA1BHRH3
SCHEMBL6805700 0.83 SMN1; SMN2 (0.46) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL6806620 0.78 HRH1 (0.39) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL28038425 0.74 SMN1; SMN2 (0.39)
SCHEMBL3583127 0.72 TERT (0.35)
SCHEMBL28038748 0.71 CNR1 (0.39)
SCHEMBL6810247 0.70 SMN1; SMN2 (0.41) HRH1ADRA1AADRA1B
SCHEMBL6631333 0.70 SMN1; SMN2 (0.41) HRH1ADRA1AADRA1B
SCHEMBL28038756 0.70 CNR1 (0.38)
SCHEMBL28038420 0.70 CNR1 (0.38)

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.