SCHEMBL3266092

SCHEMBL3266092

CCc1ccn(CC)c1CC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 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
SCHEMBL10539640 0.79 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL2969372 0.74 KDM4E (0.34) KDM4EALDH1A1MAPK1GABRA1GABRB2
SCHEMBL2962188 0.74 GABRA1 (0.34) KDM4EALDH1A1MAPK1GABRA1GABRB2
SCHEMBL3344965 0.73 KDM4E (0.30) KDM4EALDH1A1MAPK1
SCHEMBL868431 0.73 KDM4E (0.47) KDM4EGABRA1GABRB2
SCHEMBL23839890 0.70 GABRA1 (0.45) KDM4EALDH1A1MAPK1GABRA1GABRB2
SCHEMBL12727081 0.69 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL11400414 0.68 DRD3 (0.33)
SCHEMBL4990189 0.66 PARP1 (0.36) GABRA1GABRB2
SCHEMBL11650532 0.65 PGR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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 (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-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885ALDH1A1 2858/4885MAPK1 2093/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885ALDH1A1 2858/4885MAPK1 2093/4885

“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.