SCHEMBL5774328

SCHEMBL5774328

CN1C[C@@H]2CN(C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)C[C@@H]2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
SRD5A2 P31213 1/20 0.62
HSD17B10 Q99714 1/20 0.62
HRH4 Q9H3N8 5/20 0.61
HRH3 Q9Y5N1 1/20 0.61
PDGFRB P09619 2/20 0.59
PDGFRA P16234 2/20 0.59
FLT3 P36888 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
CFD P00746 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48

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
SCHEMBL603468 0.87 HRH4 (0.69) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL5775663 0.83 HRH4 (0.72) CYP1A2CYP2C9HRH4HRH3PDGFRB
SCHEMBL26090451 0.80 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL26090456 0.80 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL5776243 0.79 HRH4 (0.76) HRH4HRH3PDGFRBFLT3MEN1
SCHEMBL11981504 0.78 AKR1C3 (0.67) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL2198391 0.78 KDM4E (0.60) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL13100272 0.78 AKR1C3 (0.75) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL13133298 0.78 KDM4E (0.81) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL31024146 0.78 KDM4E (0.54) KDM4EALDH1A1CYP1A2CYP2C9HPGD

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 KDM4E 818/4885ALDH1A1 275/4885CYP1A2 204/4885

“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.