SCHEMBL4526708

SCHEMBL4526708

CCC1CCN(C=N)CC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.30

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
SCHEMBL4524664 0.76
SCHEMBL23516990 0.76 CNR2 (0.35) NCF1
SCHEMBL19621261 0.76 NCF1 (0.30) NCF1
SCHEMBL8716434 0.76 NCF1 (0.50) NCF1
SCHEMBL4510721 0.73
SCHEMBL11714507 0.70 SIGMAR1 (0.46)
SCHEMBL14037328 0.70 ACHE (0.31)
SCHEMBL22814990 0.70
SCHEMBL12515 0.69
SCHEMBL13509637 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 NCF1 1986/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 NCF1 1988/4885

“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.