SCHEMBL1762782

SCHEMBL1762782

CCCC(CCC)n1cc(C2CCC3(CC2)OCCO3)c2cc(-c3c(CC)cccc3CC)ncc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.33
PDE1A P54750 1/20 0.32
PDE1C Q14123 1/20 0.32
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNG7 P62955 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNG1 Q06432 1/20 0.32
CACNB2 Q08289 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
CACNA1E Q15878 1/20 0.32

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
SCHEMBL1763188 0.85 TYRO3 (0.37) PDE1APDE1C
SCHEMBL1762730 0.83 IDO1 (0.36)
SCHEMBL1762649 0.82 TYRO3 (0.41)
SCHEMBL5812818 0.82 TYRO3 (0.38)
SCHEMBL1762975 0.78 ALOX5AP (0.41)
SCHEMBL1762776 0.76 C5AR1 (0.31)
SCHEMBL1762598 0.75
SCHEMBL1762703 0.73 GABRP (0.32)
SCHEMBL1762613 0.71 PTGER1 (0.36)
SCHEMBL1762871 0.71 NR4A2 (0.37)

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
US-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 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 (2 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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 PDE10A 1668/4885PDE1A 1642/4885PDE1C 1803/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 PDE10A 1668/4885PDE1A 1642/4885PDE1C 1803/4885

“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.