SCHEMBL21153225

SCHEMBL21153225

CC(CCC(C)N1CCC(O)(CN)CC1)N1CCC(CN)CC1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 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
SCHEMBL20418013 0.81
SCHEMBL10446766 0.74 CYP2D6 (0.41)
SCHEMBL17715681 0.73 NCF1 (0.44) NCF1
SCHEMBL25856175 0.71 OPRM1 (0.31)
SCHEMBL21451588 0.71
SCHEMBL27606437 0.70 NCF1 (0.52) NCF1
SCHEMBL19476895 0.70 NCF1 (0.52) NCF1
SCHEMBL102407 0.69 NCF1 (0.56) NCF1
SCHEMBL24520036 0.68 NCF1 (0.45) NCF1
SCHEMBL21451583 0.68 CYP2D6 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-07-11 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-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 NCF1 1467/4885

“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.