SCHEMBL38411

SCHEMBL38411

Cc1cc(CNC(=O)C2CN(C(=O)Oc3ccccc3C(C)C)C2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
ERCC1 P07992 2/20 0.39
ERCC4 Q92889 2/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
F12 P00748 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
APP P05067 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL38361 0.91 ACHE (0.48) ERCC1ERCC4ACHEBACE1MEN1
SCHEMBL43467 0.90 TRPV1 (0.48) ACHEBACE1F12MEN1KMT2A
SCHEMBL38457 0.83 ERCC1 (0.45) ERCC1ERCC4ACHEBACE1F12
SCHEMBL42916 0.81 ACHE (0.56) ACHEBACE1TRPV1RAB9ANPC1
SCHEMBL43329 0.81 NPC1 (0.65) ACHEBACE1MAPTMEN1KMT2A
SCHEMBL38831 0.78 ERCC1 (0.42) ERCC1ERCC4ACHEBACE1MEN1
SCHEMBL38357 0.78 ERCC1 (0.42) ERCC1ERCC4ACHEBACE1MEN1
SCHEMBL38362 0.75 ACHE (0.49) ERCC1ERCC4ACHEBACE1MEN1
SCHEMBL38814 0.75 ERCC1 (0.43) ERCC1ERCC4ACHEBACE1MEN1
SCHEMBL38815 0.75 ERCC1 (0.43) ERCC1ERCC4ACHEBACE1MEN1

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 CES2 1581/4885ERCC1 3649/4885ERCC4 4645/4885

“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.