SCHEMBL2867140

SCHEMBL2867140

CC1(O)CCN(CCNC(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N23)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
PLD1 Q13393 8/20 0.37
PLD2 O14939 7/20 0.37
HTR4 Q13639 1/20 0.36
ADRA1A P35348 4/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1B P35368 3/20 0.36
CHRM4 P08173 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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 0.90 HTR4 (0.43) NPSR1HTR4SIGMAR1
SCHEMBL2868696 0.90 SIGMAR1 (0.44) NPSR1HTR4SIGMAR1L3MBTL1
SCHEMBL2858188 0.89 L3MBTL1 (0.44) NPSR1SIGMAR1L3MBTL1
SCHEMBL2863108 0.89 L3MBTL1 (0.44) NPSR1SIGMAR1L3MBTL1
SCHEMBL2864346 0.88 HTT (0.39) NPSR1PLD1PLD2HTR4SIGMAR1
SCHEMBL2869035 0.88 SMN1; SMN2 (0.43) L3MBTL1
SCHEMBL2861377 0.87 NPSR1 (0.38) NPSR1PLD1PLD2HTR4ADRA1A
SCHEMBL2856576 0.84 NPSR1 (0.37) NPSR1PLD1PLD2HTR4ADRA1A
SCHEMBL2867838 0.84 TSHR (0.48) L3MBTL1
SCHEMBL2865817 0.83 ALDH1A1 (0.47)

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 NPSR1 211/4885PLD1 1582/4885PLD2 547/4885

“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.