SCHEMBL5772728

SCHEMBL5772728

O=C(c1nc2cc(Cl)ccc2[nH]1)N1C[C@H]2CNC[C@H]2C1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.82
HRH3 Q9Y5N1 4/20 0.51
PDE10A Q9Y233 1/20 0.48
CHRNB2 P17787 5/20 0.47
CHRNB4 P30926 5/20 0.47
CHRNA3 P32297 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNA7 P36544 4/20 0.46
ALOX15 P16050 1/20 0.46
HTR3A P46098 1/20 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
SCHEMBL5775412 0.84 HRH4 (0.84) HRH4HRH3PDE10AALOX15
SCHEMBL5775764 0.84 HRH4 (0.84) HRH4HRH3PDE10AALOX15
SCHEMBL5771245 0.83 HRH4 (0.66) HRH4HRH3PDE10AALOX15
SCHEMBL4321676 0.81 PARP1 (0.58) HRH4HRH3PDE10AALOX15HTR3A
SCHEMBL4321670 0.81 PARP1 (0.58) HRH4HRH3PDE10AALOX15HTR3A
SCHEMBL4321673 0.81 PARP1 (0.58) HRH4HRH3PDE10AALOX15HTR3A
SCHEMBL604697 0.81 HRH4 (0.64) HRH4HRH3ALOX15
SCHEMBL5775848 0.80 HRH4 (0.76) HRH4HRH3
SCHEMBL603231 0.78 HRH4 (0.54) HRH4HRH3PDE10AALOX15

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 3821/4885PDE10A 646/4885

“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.