SCHEMBL2869035

SCHEMBL2869035

O=C(NCCN1CCOCC1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
KDM5B Q9UGL1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.41
BCHE P06276 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
SCHEMBL2868696 0.92 SIGMAR1 (0.44) TSHRL3MBTL1BCHE
SCHEMBL2858188 0.91 L3MBTL1 (0.44) HPGDKDM4ETSHRALDH1A1LMNA
SCHEMBL2863108 0.91 L3MBTL1 (0.44) HPGDKDM4ETSHRALDH1A1LMNA
SCHEMBL2862082 0.91 HTR4 (0.43) TSHR
SCHEMBL2861377 0.90 NPSR1 (0.38) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2864346 0.89 HTT (0.39) LMNAL3MBTL1
SCHEMBL2867140 0.88 NPSR1 (0.37) L3MBTL1
SCHEMBL2856576 0.86 NPSR1 (0.37) SMN1; SMN2GAAL3MBTL1
SCHEMBL2867838 0.86 TSHR (0.48) SMN1; SMN2KDM4ETSHRTDP1ALDH1A1
SCHEMBL2865817 0.85 ALDH1A1 (0.47) SMN1; SMN2HPGDKDM4ETSHRALDH1A1

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 SMN1; SMN2 4533/4885HPGD 1412/4885CD274 4592/4885

“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.