SCHEMBL5775604

SCHEMBL5775604

COc1cc2cc(C(=O)N3C[C@H]4CN(C)C[C@H]4C3)[nH]c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.63
HRH3 Q9Y5N1 3/20 0.63
KMT2A Q03164 4/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.48
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
ABCB1 P08183 2/20 0.44

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
SCHEMBL604410 0.83 HRH4 (0.69) HRH4HRH3KMT2ARXFP1MEN1
SCHEMBL5775663 0.83 HRH4 (0.72) HRH4HRH3KMT2AMEN1NPC1
SCHEMBL5776203 0.80 HRH4 (0.73) HRH4HRH3KMT2AMEN1POLB
SCHEMBL5770771 0.79 HRH4 (0.65) HRH4HRH3NPC1RAB9A
SCHEMBL5776243 0.79 HRH4 (0.76) HRH4HRH3KMT2AMEN1POLB
SCHEMBL5774343 0.79 HRH4 (0.76) HRH4HRH3KMT2AMEN1NPC1
SCHEMBL2166664 0.78 HRH4 (1.00) HRH4HRH3KMT2ARXFP1MEN1
SCHEMBL5772882 0.78 HRH4 (0.74) HRH4HRH3KMT2ARXFP1MEN1
SCHEMBL5773436 0.78 HRH4 (0.82) HRH4HRH3
SCHEMBL5774617 0.78 HRH4 (0.74) HRH4HRH3KMT2AMEN1

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 3821/4885KMT2A 4397/4885

“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.