SCHEMBL2865748

SCHEMBL2865748

CCOC(=O)C1CCN(CCNC(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N23)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LTA4H P09960 1/20 0.41
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
EGFR P00533 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2862082 0.85 HTR4 (0.43) POLBSIGMAR1
SCHEMBL2863451 0.85 NPSR1 (0.36) POLBALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2858188 0.84 L3MBTL1 (0.44) L3MBTL1POLBALDH1A1ALOX15MAPT
SCHEMBL2861377 0.83 NPSR1 (0.38) L3MBTL1POLBALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL2865644 0.81 POLB (0.43) POLBALDH1A1LTA4HSMN1; SMN2HPGD
SCHEMBL2870948 0.80 NPSR1 (0.39)
SCHEMBL2856576 0.80 NPSR1 (0.37) L3MBTL1POLBSMN1; SMN2SIGMAR1KMT2A
SCHEMBL2867845 0.80 CYP3A4 (0.46) L3MBTL1POLBALDH1A1ALOX15LMNA
SCHEMBL2867838 0.80 TSHR (0.48) L3MBTL1ALDH1A1ALOX15SMN1; SMN2MAPT
SCHEMBL2865817 0.79 ALDH1A1 (0.47) POLBHTTALDH1A1ALOX15SMN1; SMN2

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 3625/4885HTT 3138/4885

“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.