SCHEMBL43091

SCHEMBL43091

CCC1CCC(OC(=O)N2CCC(C(=O)NCc3ccc(O)c(OC)c3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 4/20 0.49
TRPV1 Q8NER1 2/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 1/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 2/20 0.45
ERCC1 P07992 2/20 0.45
ERCC4 Q92889 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL43454 1.00 ACHE (0.53) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL43090 1.00 ACHE (0.53) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL46987 0.95 ACHE (0.49) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42168 0.95 ACHE (0.49) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42309 0.95 ACHE (0.49) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL47188 0.92 TRPV1 (0.49) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL43612 0.92 TRPV1 (0.49) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42409 0.91 TP53 (0.55) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42828 0.91 TP53 (0.55) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42408 0.91 TP53 (0.55) ACHEBACE1ALDH1A1POLBTP53

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 ACHE 618/4885BACE1 1672/4885ALDH1A1 643/4885

“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.