SCHEMBL2858873

SCHEMBL2858873

CC(C)(C)OC(=O)C1CNCC2C(=O)OC(c3ccccc3)N21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
RIPK1 Q13546 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.33
ACHE P22303 1/20 0.32
RORC P51449 1/20 0.32
PDE5A O76074 1/20 0.32
NR1H2 P55055 3/20 0.31
RXRA P19793 2/20 0.31
NR1H3 Q13133 2/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL780078 0.88 KDM4E (0.38) RIPK1MEN1KMT2AKDM4E
SCHEMBL2862145 0.84 ALDH1A1 (0.36) ABCB1USP2KDM4E
SCHEMBL2870615 0.74 KMT2A (0.41) MEN1KMT2AKDM4E
SCHEMBL6039467 0.72 NPSR1 (0.37) RECQLRIPK1ABCB1RORC
SCHEMBL2868978 0.72 ALDH1A1 (0.49) MEN1KMT2AMAOB
SCHEMBL780003 0.71 L3MBTL1 (0.33) L3MBTL1
SCHEMBL16394343 0.71 KDM1A (0.34) RECQLACHERORCKDM1AMAOB
SCHEMBL3604816 0.70 GPR119 (0.36) RECQLACHENR1H2NR1H3KDM4E
SCHEMBL2865920 0.70 PLA2G10 (0.35) L3MBTL1KMT2A
SCHEMBL2160991 0.70 SMO (0.38) RECQLRORCKDM1AMAOB

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-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 RECQL 4570/4885RIPK1 2626/4885L3MBTL1 2503/4885

“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.