SCHEMBL42278

SCHEMBL42278

COc1cc(CNC(=O)C2CCN(C(=O)O[C@@H]3CCCC[C@H]3C)CC2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
KDM4E B2RXH2 2/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ERCC1 P07992 2/20 0.48
ERCC4 Q92889 2/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL10105095 1.00 ACHE (0.53) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL42654 1.00 ACHE (0.53) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL42182 1.00 ACHE (0.53) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL42277 1.00 ACHE (0.53) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL42181 1.00 ACHE (0.53) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL12654144 0.91 ALDH1A1 (0.46) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL42614 0.89 ACHE (0.52) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL42169 0.89 ACHE (0.52) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL42170 0.89 ACHE (0.52) ACHEBACE1KDM4EALOX15TDP1
SCHEMBL42613 0.89 ACHE (0.52) ACHEBACE1KDM4EALOX15TDP1

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 4 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 claimed
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 claimed
EP-2277861-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-26 EP claimed
EP-2484664-A1 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-08-08 EP 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 1672/4885KDM4E 1869/4885

“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.