SCHEMBL38457

SCHEMBL38457

Cc1cc(CNC(=O)C2CN(C(=O)Oc3ccccc3C3CCCC3)C2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
F12 P00748 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APP P05067 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL38362 0.92 ACHE (0.49) ERCC1ERCC4ACHEBACE1KMT2A
SCHEMBL42983 0.91 ACHE (0.48) ERCC1ERCC4ACHEBACE1F12
SCHEMBL38411 0.83 CES2 (0.40) ERCC1ERCC4ACHEBACE1F12
SCHEMBL42583 0.83 ACHE (0.56) ERCC1ERCC4ACHEBACE1KMT2A
SCHEMBL38361 0.76 ACHE (0.48) ERCC1ERCC4ACHEBACE1KMT2A
SCHEMBL38815 0.76 ERCC1 (0.43) ERCC1ERCC4ACHEBACE1KMT2A
SCHEMBL38814 0.76 ERCC1 (0.43) ERCC1ERCC4ACHEBACE1KMT2A
SCHEMBL38410 0.76 ERCC1 (0.43) ERCC1ERCC4KMT2AMEN1RAB9A
SCHEMBL43467 0.75 TRPV1 (0.48) ACHEBACE1F12KMT2AMEN1
SCHEMBL38359 0.75 ERCC1 (0.53) ERCC1ERCC4ACHEBACE1KMT2A

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 4645/4885ACHE 618/4885

“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.