SCHEMBL5512134

SCHEMBL5512134

ClC(Cl)(Cl)c1nc2cc(-c3ccccc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PRCP P42785 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL8146864 0.84 NPSR1 (0.62) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL20494892 0.83 DGAT1 (0.42) GSK3BNPSR1DGAT1KCNH2KDM4E
SCHEMBL20495149 0.83 ABL1 (0.42) GSK3BCLK4ALDH1A1CYP3A4
SCHEMBL20495460 0.82 NPC1 (0.44) GSK3BCDK5DYRK1ACDK5R1NPC1
SCHEMBL13398286 0.81 QPCT (0.46) NPSR1GAA
SCHEMBL2878855 0.78 DYRK3 (0.46) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL244984 0.77 NPSR1 (0.66) GSK3BCLK4NPC1NPSR1GAA
SCHEMBL1358509 0.76 HRH4 (0.41) DYRK1ANPSR1MEN1KMT2AKDM4E
SCHEMBL22649095 0.76 NPC1 (0.67) NPC1GAAMEN1KMT2ARAB9A
SCHEMBL2359317 0.76 TRPA1 (0.56) NPSR1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 — — EP disclosed
EP-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 — — EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 — — WO 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 DYRK3 4045/4885CLK1 4870/4885CLK2 4855/4885

“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.

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