SCHEMBL42608

SCHEMBL42608

COc1cc(CNC(=O)C2CN(C(=O)OC3CCC(C)(C)CC3)C2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.48
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 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
SCHEMBL42910 0.94 ACHE (0.49) TRPV1ACHEBACE1NPC1PKM
SCHEMBL43042 0.94 ACHE (0.49) TRPV1ACHEBACE1NPC1PKM
SCHEMBL42854 0.94 ACHE (0.49) TRPV1ACHEBACE1NPC1PKM
SCHEMBL42980 0.92 ACHE (0.53) TRPV1ACHEBACE1NPC1PKM
SCHEMBL42763 0.91 TRPV1 (0.47) TRPV1ACHEBACE1NPC1PKM
SCHEMBL43562 0.89 TRPV1 (0.49) TRPV1ACHEBACE1NPC1PKM
SCHEMBL43612 0.87 TRPV1 (0.49) TRPV1ACHEBACE1NPC1PKM
SCHEMBL42564 0.87 TRPV1 (0.47) TRPV1ACHEBACE1NPC1PKM
SCHEMBL41897 0.87 TRPV1 (0.47) TRPV1ACHEBACE1NPC1PKM
SCHEMBL47188 0.87 TRPV1 (0.49) TRPV1ACHEBACE1NPC1PKM

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 2 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

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 247/4885ACHE 618/4885BACE1 1672/4885

“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.