SCHEMBL5775412

SCHEMBL5775412

CC(C)N1C[C@H]2CN(C(=O)c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.84
HRH3 Q9Y5N1 4/20 0.52
TLR9 Q9NR96 3/20 0.46
TLR8 Q9NR97 3/20 0.46
TLR7 Q9NYK1 3/20 0.46
ALOX15 P16050 1/20 0.45
PDE10A Q9Y233 2/20 0.45

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
SCHEMBL5773503 0.87 HRH4 (0.83) HRH4HRH3ALOX15
SCHEMBL5775764 0.84 HRH4 (0.84) HRH4HRH3ALOX15PDE10A
SCHEMBL5772728 0.84 HRH4 (0.82) HRH4HRH3ALOX15PDE10A
SCHEMBL5772717 0.82 HRH4 (0.77) HRH4HRH3
SCHEMBL5771245 0.81 HRH4 (0.66) HRH4HRH3ALOX15PDE10A
SCHEMBL4321670 0.78 PARP1 (0.58) HRH4HRH3ALOX15PDE10A
SCHEMBL4321676 0.78 PARP1 (0.58) HRH4HRH3ALOX15PDE10A
SCHEMBL4321673 0.78 PARP1 (0.58) HRH4HRH3ALOX15PDE10A
SCHEMBL603231 0.76 HRH4 (0.54) HRH4HRH3ALOX15PDE10A
SCHEMBL602043 0.76 HRH4 (0.81) HRH4HRH3ALOX15

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
EP-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 EP claimed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 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-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS HRH4 1986/4885HRH3 3821/4885TLR9 4498/4885

“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.