SCHEMBL8337295

SCHEMBL8337295

NCC1CCN(C(=O)CC2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.43
FAAH O00519 1/20 0.43
DPP4 P27487 1/20 0.41
NCF1 P14598 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 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
SCHEMBL17551535 0.98 TPSAB1 (0.47) TPSAB1TPSD1TPSG1CHRM2CHRM1
SCHEMBL17551493 0.92 NAMPT (0.50) TPSAB1TPSD1TPSG1CHRM2CHRM1
SCHEMBL14115752 0.83 GNAI3 (0.47) TPSAB1TPSD1TPSG1NAMPTKDM4E
SCHEMBL3401956 0.82 NCF1 (0.45) TPSAB1TPSD1TPSG1CHRM2CHRM1
SCHEMBL3704195 0.82 NAMPT (0.50) TPSAB1TPSD1TPSG1NAMPTKDM4E
SCHEMBL22875133 0.81 TPSAB1 (0.48) TPSAB1TPSD1TPSG1NAMPTKDM4E
SCHEMBL3698852 0.80 ALDH1A1 (0.51) NAMPTKDM4EALDH1A1HSD17B10FAAH
SCHEMBL3700457 0.80 KDM4E (0.51) NAMPTKDM4EALDH1A1HSD17B10CNR2
SCHEMBL22882344 0.80 CPN1 (0.50) TPSAB1TPSD1TPSG1CHRM2CHRM1
SCHEMBL3706069 0.80 KDM4E (0.51) NAMPTKDM4EALDH1A1HSD17B10CNR2

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
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A TPSAB1 564/4885TPSD1 696/4885TPSG1 1361/4885

“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.