SCHEMBL5774617

SCHEMBL5774617

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

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.74
HRH3 Q9Y5N1 3/20 0.74
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.54
KDM4E B2RXH2 1/20 0.52
PDPK1 O15530 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
APEX1 P27695 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 1/20 0.52

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 0.86 HRH4 (0.76) HRH4HRH3KMT2AMEN1
SCHEMBL5776243 0.86 HRH4 (0.76) HRH4HRH3KMT2AMEN1
SCHEMBL2166664 0.85 HRH4 (1.00) HRH4HRH3KMT2AMEN1
SCHEMBL5772882 0.85 HRH4 (0.74) HRH4HRH3KMT2AMEN1
SCHEMBL5772286 0.85 HRH4 (1.00) HRH4HRH3KMT2AMEN1
SCHEMBL603452 0.83 HRH4 (1.00) HRH4HRH3KMT2A
SCHEMBL5775663 0.83 HRH4 (0.72) HRH4HRH3KMT2AMEN1TSHR
SCHEMBL4476320 0.79 HRH4 (0.54) HRH4HRH3KMT2AMEN1KDM4E
SCHEMBL4338440 0.79 HRH4 (0.54) HRH4HRH3KMT2AMEN1KDM4E
SCHEMBL4338442 0.79 HRH4 (0.54) HRH4HRH3KMT2AMEN1KDM4E

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 2 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 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.