SCHEMBL5773390

SCHEMBL5773390

CN1C[C@@H]2CN(C(=O)c3nc4cc(Cl)c(Cl)cc4[nH]3)C[C@@H]2C1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.74
HRH3 Q9Y5N1 7/20 0.74
ALOX15 P16050 1/20 0.47

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
SCHEMBL5904370 0.92 HRH4 (0.70) HRH4HRH3ALOX15
SCHEMBL5772928 0.91 HRH4 (0.83) HRH4HRH3
SCHEMBL5776134 0.86 HRH4 (0.76) HRH4HRH3
SCHEMBL5773503 0.85 HRH4 (0.83) HRH4HRH3ALOX15
SCHEMBL5771206 0.85 HRH4 (1.00) HRH4HRH3
SCHEMBL603185 0.83 HRH4 (0.73) HRH4HRH3ALOX15
SCHEMBL5773824 0.81 HRH4 (0.72) HRH4HRH3
SCHEMBL5769653 0.81 HRH4 (0.83) HRH4HRH3
SCHEMBL5770148 0.81 HRH4 (0.70) HRH4HRH3
SCHEMBL5770298 0.81 HRH4 (0.72) HRH4HRH3

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 3 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
EP-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 EP disclosed
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 3821/4885ALOX15 414/4885

“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.