SCHEMBL2867869

SCHEMBL2867869

CC1(C)OC(=O)C2CNCC(C(=O)Oc3ccccc3)N21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
AADAT Q8N5Z0 1/20 0.35
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PARP1 P09874 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ELANE P08246 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 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
SCHEMBL2856555 0.86 NPSR1 (0.38) L3MBTL1POLBAADATCHRNB2CHRNB4
SCHEMBL2865427 0.83 HTR2C (0.33) POLBUSP2ALDH1A1
SCHEMBL2867203 0.82 NPSR1 (0.41) ALDH1A1
SCHEMBL6039822 0.82 CHRNB2 (0.35) L3MBTL1POLBCHRNB2CHRNB4CHRNA3
SCHEMBL6039789 0.80 NPSR1 (0.43) TSHRALDH1A1SMN1; SMN2
SCHEMBL2864855 0.80 KCNN4 (0.37) USP2ALDH1A1SMN1; SMN2
SCHEMBL6039968 0.79 NPSR1 (0.35) SLC6A3
SCHEMBL6039975 0.78 MGLL (0.36) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6039954 0.75 NPSR1 (0.37) POLBALDH1A1SMN1; SMN2
SCHEMBL2862145 0.73 ALDH1A1 (0.36) GAAUSP2TP53TSHRCHRNB2

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 L3MBTL1 2503/4885POLB 3625/4885AADAT 2617/4885

“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.