SCHEMBL42750

SCHEMBL42750

CCC1CCCC(OC(=O)N2CCC(C(=O)NCc3ccc(O)c(OC)c3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
TPSAB1 Q15661 2/20 0.43
TPSD1 Q9BZJ3 2/20 0.43
TPSG1 Q9NRR2 2/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
RAB9A P51151 2/20 0.42
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL42748 1.00 ACHE (0.50) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42749 1.00 ACHE (0.50) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42742 0.92 TRPV1 (0.44) ACHEBACE1ALDH1A1POLBKDM4E
SCHEMBL41878 0.90 ACHE (0.52) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42587 0.90 ACHE (0.52) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL41877 0.90 ACHE (0.52) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL42586 0.90 ACHE (0.52) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL41876 0.90 ACHE (0.52) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL43091 0.89 ACHE (0.53) ACHEBACE1ALDH1A1POLBTP53
SCHEMBL43090 0.89 ACHE (0.53) 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 5 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
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.