SCHEMBL38362

SCHEMBL38362

Cc1cc(CNC(=O)C2CCN(C(=O)Oc3ccccc3C3CCCC3)CC2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
ERCC1 P07992 2/20 0.47
ERCC4 Q92889 2/20 0.47
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL38457 0.92 ERCC1 (0.45) ACHEBACE1ERCC1ERCC4ALDH1A1
SCHEMBL42583 0.91 ACHE (0.56) ACHEBACE1ERCC1ERCC4TDP1
SCHEMBL38361 0.85 ACHE (0.48) ACHEBACE1ERCC1ERCC4TDP1
SCHEMBL42983 0.83 ACHE (0.48) ACHEBACE1ERCC1ERCC4NPSR1
SCHEMBL38878 0.82 ERCC1 (0.53) ACHEBACE1ERCC1ERCC4TDP1
SCHEMBL38359 0.82 ERCC1 (0.53) ACHEBACE1ERCC1ERCC4TDP1
SCHEMBL38456 0.81 ERCC1 (0.51) ACHEBACE1ERCC1ERCC4TDP1
SCHEMBL38349 0.78 ERCC1 (0.50) ACHEBACE1ERCC1ERCC4TDP1
SCHEMBL38416 0.78 ERCC1 (0.50) ACHEBACE1ERCC1ERCC4TDP1
SCHEMBL38291 0.78 ERCC1 (0.50) ACHEBACE1ERCC1ERCC4TDP1

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 ACHE 618/4885BACE1 1672/4885ERCC1 3649/4885

“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.