SCHEMBL43706

SCHEMBL43706

C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CC(C(=O)NCc2ccc(O)c(OC)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.50
TP53 P04637 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL42722 1.00 TRPV1 (0.50) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL38846 0.90 ERCC1 (0.39) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL11897378 0.86 TRPV1 (0.60) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL43641 0.86 TRPV1 (0.60) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL46922 0.86 TRPV1 (0.60) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL43421 0.86 TRPV1 (0.60) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL10104825 0.82 TRPV1 (0.48) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL42503 0.82 TRPV1 (0.48) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL13619458 0.82 TRPV1 (0.48) TRPV1TP53CYP3A4CYP2C19NPSR1
SCHEMBL11981735 0.82 TRPV1 (0.48) TRPV1TP53CYP3A4CYP2C19NPSR1

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 7 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 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 TRPV1 247/4885TP53 4494/4885CYP3A4 1879/4885

“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.