SCHEMBL12425784

SCHEMBL12425784

CC[C@H]1CC[C@@H](n2cncn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
ACHE P22303 1/20 0.33
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL12424321 1.00 EPHX2 (0.33) EPHX2ACHEPDE10AMEN1KMT2A
SCHEMBL14717289 0.84
SCHEMBL31479150 0.81 EPHX2 (0.36) EPHX2PDE10A
SCHEMBL12385988 0.79 EPHX2 (0.35) EPHX2ACHE
SCHEMBL15655579 0.75 TRPC3 (0.35) EPHX2ACHE
SCHEMBL15655580 0.75 TRPC3 (0.35) EPHX2ACHE
SCHEMBL12384407 0.74 EPHX2 (0.33) EPHX2ACHEMEN1KMT2A
SCHEMBL31479181 0.71 EPHX2 (0.40) EPHX2MEN1KMT2A
SCHEMBL1991683 0.71 MEN1 (0.38) EPHX2ACHEMEN1KMT2A
SCHEMBL31479347 0.70 EPHX2 (0.36) EPHX2

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 EPHX2 669/4885ACHE 3858/4885PDE10A 2880/4885

“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.