SCHEMBL38366

SCHEMBL38366

Cc1cc(CNC(=O)C2CCN(C(=O)Oc3ccc(C(C)C)cc3)CC2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.44
ERCC4 Q92889 2/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCL9 O00512 2/20 0.42
CTNNB1 P35222 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL38877 0.90 PKM (0.44) ERCC1ERCC4LMNAALDH1A1ACHE
SCHEMBL42710 0.89 ACHE (0.52) LMNATP53ALDH1A1ACHEBACE1
SCHEMBL38361 0.83 ACHE (0.48) ERCC1ERCC4ALDH1A1ACHEBACE1
SCHEMBL43579 0.79 ACHE (0.52) LMNATP53ALDH1A1ACHEBACE1
SCHEMBL38878 0.79 ERCC1 (0.53) ERCC1ERCC4ALDH1A1ACHEBACE1
SCHEMBL38359 0.79 ERCC1 (0.53) ERCC1ERCC4ALDH1A1ACHEBACE1
SCHEMBL38335 0.78 ERCC1 (0.48) ERCC1ERCC4LMNATP53ALDH1A1
SCHEMBL38328 0.78 ERCC1 (0.48) ERCC1ERCC4LMNATP53ALDH1A1
SCHEMBL38362 0.77 ACHE (0.49) ERCC1ERCC4TP53ALDH1A1ACHE
SCHEMBL38431 0.77 ERCC1 (0.46) ERCC1ERCC4LMNATP53ALDH1A1

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-8367835-B2 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-02-05 US disclosed
US-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 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-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HRH3, ARG1, CNR1 ERCC1 3649/4885ERCC4 4645/4885LMNA 3780/4885

“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.