SCHEMBL4898680

SCHEMBL4898680

CCC(=NC#N)NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL4898671 1.00 CYP2D6 (0.35) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL4892454 0.85 CYP2D6 (0.33) CYP2D6CYP2C19EPHX1
SCHEMBL4892460 0.85 CYP2D6 (0.33) CYP2D6CYP2C19EPHX1
SCHEMBL13989344 0.85 CYP2D6 (0.33) CYP2D6CYP2C19EPHX1
SCHEMBL4086594 0.79
SCHEMBL4086602 0.79
SCHEMBL4092392 0.75
SCHEMBL13940742 0.75
SCHEMBL16259082 0.75 CYP2D6 (0.38) CYP2D6CYP2C19MMP1MMP8
SCHEMBL4092401 0.75

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-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 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-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators GABRB1, GABBR2, GABRB2 CYP2D6 1054/4885CYP2C19 467/4885MMP1 4314/4885

“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.