SCHEMBL5744835

SCHEMBL5744835

CCC(=O)CCN1CCC(N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 1/20 0.35
LTA4H P09960 1/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CYP2D6 P10635 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
SCHEMBL24675480 0.82 HRH2 (0.49) HRH2HRH1POLBHTTGNAI3
SCHEMBL13102165 0.75
SCHEMBL13102164 0.75
SCHEMBL19658287 0.75 MAPT (0.54) POLBHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL13529059 0.75
SCHEMBL17937227 0.74 GNAI3 (0.43) HRH2HRH1POLBHTTGNAI3
SCHEMBL14744296 0.73 HRH2 (0.38) HRH2HRH1POLBHTTSMN1; SMN2
SCHEMBL31250902 0.73 HRH2 (0.48) HRH2HRH1GNAI3GNAO1GNAI1
SCHEMBL12635280 0.72 BCHE (0.41) HRH2HRH1POLBHTTSMN1; SMN2
SCHEMBL12635273 0.72 BCHE (0.41) HRH2HRH1POLBHTTSMN1; SMN2

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-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 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-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D HRH2 3703/4885HRH1 3933/4885POLB 903/4885

“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.