SCHEMBL4130724

SCHEMBL4130724

COCCN1C(=O)C(C)(C)c2cc(N)c(N)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
BACE1 P56817 7/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
CTSD P07339 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
MPI P34949 1/20 0.33
REN P00797 3/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL23578108 0.85 ALDH1A1 (0.40) ALDH1A1PTGDR2GAA
SCHEMBL2486662 0.83 PGR (0.37) ALDH1A1AURKAAURKBTDP1MPI
SCHEMBL14401726 0.83 BACE1 (0.38) ALDH1A1BACE1PTGDR2CTSDTDP1
SCHEMBL14401638 0.83 PTGDR2 (0.40) ALDH1A1BACE1PTGDR2CTSDTDP1
SCHEMBL2487312 0.82 BACE1 (0.33) BACE1AURKAAURKBCYP2D6CYP2C9
SCHEMBL6451576 0.81 MEN1 (0.39) ALDH1A1AURKAAURKBTDP1GAA
SCHEMBL4143673 0.80 DUT (0.35) AURKAAURKB
SCHEMBL2486094 0.80 AURKA (0.44) ALDH1A1BACE1AURKAAURKBTDP1
SCHEMBL6450666 0.79 SCN9A (0.40)
SCHEMBL13341347 0.79 ALDH1A1 (0.35) ALDH1A1BACE1AURKAAURKBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
EP-1966213-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068465-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO 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-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents AAAS, CYP3A5, BRCA1 ALDH1A1 898/4885BACE1 82/4885PTGDR2 2648/4885

“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.