SCHEMBL43399

SCHEMBL43399

CCC1(CC)CCC(OC(=O)N2CC[C@H](C(=O)NCc3ccc(O)c(OC)c3)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
TRPV1 Q8NER1 4/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 4/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 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
SCHEMBL42201 1.00 ACHE (0.48) ACHEBACE1TRPV1RAB9AALDH1A1
SCHEMBL10104907 1.00 ACHE (0.48) ACHEBACE1TRPV1RAB9AALDH1A1
SCHEMBL42861 0.95 ACHE (0.52) ACHEBACE1TRPV1RAB9AALDH1A1
SCHEMBL42763 0.94 TRPV1 (0.47) ACHEBACE1TRPV1RAB9AALDH1A1
SCHEMBL42910 0.91 ACHE (0.49) ACHEBACE1TRPV1RAB9AALDH1A1
SCHEMBL43042 0.91 ACHE (0.49) ACHEBACE1TRPV1RAB9AALDH1A1
SCHEMBL42854 0.91 ACHE (0.49) ACHEBACE1TRPV1RAB9AALDH1A1
SCHEMBL38372 0.90 ERCC1 (0.41) ACHEBACE1RAB9AALDH1A1POLB
SCHEMBL38320 0.90 ERCC1 (0.41) ACHEBACE1RAB9AALDH1A1POLB
SCHEMBL42168 0.88 ACHE (0.49) ACHEBACE1TRPV1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 1672/4885TRPV1 247/4885

“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.