SCHEMBL47230

SCHEMBL47230

COc1cc(CNC(=O)[C@@H]2CCN(C(=O)O[C@H]3CC[C@@H](C(C)(C)C)CC3)C2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
TRPV6 Q9H1D0 2/20 0.47
RAB9A P51151 1/20 0.45
TRPV1 Q8NER1 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
TP53 P04637 5/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL43097 1.00 ACHE (0.49) ACHEBACE1TRPV6RAB9ATRPV1
SCHEMBL42482 1.00 ACHE (0.49) ACHEBACE1TRPV6RAB9ATRPV1
SCHEMBL42914 0.95 ACHE (0.53) ACHEBACE1TRPV6RAB9ATRPV1
SCHEMBL47272 0.95 ACHE (0.53) ACHEBACE1TRPV6RAB9ATRPV1
SCHEMBL43320 0.95 ACHE (0.53) ACHEBACE1TRPV6RAB9ATRPV1
SCHEMBL42564 0.94 TRPV1 (0.47) ACHEBACE1TRPV6RAB9ATRPV1
SCHEMBL41898 0.94 TRPV1 (0.47) ACHEBACE1TRPV6RAB9ATRPV1
SCHEMBL41897 0.94 TRPV1 (0.47) ACHEBACE1TRPV6RAB9ATRPV1
SCHEMBL42168 0.89 ACHE (0.49) ACHEBACE1RAB9ATRPV1ALDH1A1
SCHEMBL42309 0.89 ACHE (0.49) ACHEBACE1RAB9ATRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2009136625-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 大日本住友製薬株式会社 (JP) 2009-11-12 WO 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 1672/4885TRPV6 2177/4885

“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.