SCHEMBL42766

SCHEMBL42766

COc1cc(CNC(=O)C2CN(C(=O)OC3CCC(C(C)C)CC3)C2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 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
SCHEMBL10105094 1.00 TRPV1 (0.47) TRPV1CYP3A4CYP2C19CYP1A2NPSR1
SCHEMBL13619643 1.00 TRPV1 (0.47) TRPV1CYP3A4CYP2C19CYP1A2NPSR1
SCHEMBL38831 0.89 ERCC1 (0.42) POLBMEN1KMT2AACHEBACE1
SCHEMBL38357 0.89 ERCC1 (0.42) POLBMEN1KMT2AACHEBACE1
SCHEMBL42564 0.88 TRPV1 (0.47) TRPV1CYP3A4CYP2C19CYP1A2NPSR1
SCHEMBL41897 0.88 TRPV1 (0.47) TRPV1CYP3A4CYP2C19CYP1A2NPSR1
SCHEMBL41898 0.88 TRPV1 (0.47) TRPV1CYP3A4CYP2C19CYP1A2NPSR1
SCHEMBL43612 0.88 TRPV1 (0.49) TRPV1CYP3A4CYP2C19CYP1A2NPSR1
SCHEMBL47188 0.88 TRPV1 (0.49) TRPV1CYP3A4CYP2C19CYP1A2NPSR1
SCHEMBL42608 0.86 TRPV1 (0.48) TRPV1CYP3A4CYP2C19CYP1A2NPSR1

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 10 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
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
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 TRPV1 247/4885CYP3A4 1879/4885CYP2C19 545/4885

“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.