SCHEMBL5776243

SCHEMBL5776243

CN1C[C@@H]2CN(C(=O)c3cc4cc(O)ccc4[nH]3)C[C@@H]2C1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.76
HRH3 Q9Y5N1 4/20 0.76
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
ABL1 P00519 1/20 0.52
PDGFRB P09619 1/20 0.52
KIT P10721 1/20 0.52
BCR P11274 1/20 0.52
FLT3 P36888 1/20 0.52
HRH1 P35367 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
SMAD3 P84022 1/20 0.51

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
SCHEMBL5774343 0.87 HRH4 (0.76) HRH4HRH3MEN1POLBKMT2A
SCHEMBL2166664 0.86 HRH4 (1.00) HRH4HRH3HRH1MEN1POLB
SCHEMBL5772882 0.86 HRH4 (0.74) HRH4HRH3HRH1MEN1POLB
SCHEMBL5772286 0.86 HRH4 (1.00) HRH4HRH3HRH1MEN1POLB
SCHEMBL5774617 0.86 HRH4 (0.74) HRH4HRH3MEN1KMT2A
SCHEMBL5775663 0.84 HRH4 (0.72) HRH4HRH3PDGFRBFLT3MEN1
SCHEMBL6130834 0.83 HRH4 (1.00) HRH4HRH3HRH1
SCHEMBL5770771 0.80 HRH4 (0.65) HRH4HRH3
SCHEMBL5774328 0.79 KDM4E (0.62) HRH4HRH3GRIN2DGRIN3BGRIN1
SCHEMBL5773436 0.79 HRH4 (0.82) HRH4HRH3HRH1

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 3821/4885GRIN2D 503/4885

“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.