SCHEMBL42983

SCHEMBL42983

COc1cc(CNC(=O)C2CN(C(=O)Oc3ccccc3C3CCCC3)C2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
F12 P00748 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPV1 Q8NER1 5/20 0.43
APP P05067 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL42583 0.92 ACHE (0.56) ACHEBACE1NPC1PKMRAB9A
SCHEMBL38457 0.91 ERCC1 (0.45) ACHEBACE1NPC1PKMRAB9A
SCHEMBL43467 0.84 TRPV1 (0.48) ACHEBACE1NPC1PKMRAB9A
SCHEMBL38771 0.83 TRPV1 (0.53) ACHEBACE1NPC1PKMRAB9A
SCHEMBL38362 0.83 ACHE (0.49) ACHEBACE1NPC1PKMRAB9A
SCHEMBL6336112 0.80 ERCC1 (0.69) ACHEBACE1NPC1PKMRAB9A
SCHEMBL15225394 0.79 ACHE (0.53) ACHEBACE1NPC1PKMRAB9A
SCHEMBL42564 0.78 TRPV1 (0.47) ACHEBACE1NPC1PKMRAB9A
SCHEMBL42608 0.78 TRPV1 (0.48) ACHEBACE1NPC1PKMRAB9A
SCHEMBL43612 0.78 TRPV1 (0.49) ACHEBACE1NPC1PKMRAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484664-B1 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO (JP) 2013-09-04 EP claimed
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
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 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-B1 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO (JP) 2013-09-04 EP disclosed
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-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
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
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
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
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 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 1672/4885NPC1 2291/4885

“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.