SCHEMBL2864346

SCHEMBL2864346

CC1CCN(CCNC(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N23)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SHMT2 P34897 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR4 Q13639 1/20 0.37
LMNA P02545 1/20 0.37
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37
CYP1A2 P05177 1/20 0.36
CCR2 P41597 1/20 0.36
HTR7 P34969 2/20 0.36

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 0.91 HTR4 (0.43) NPSR1SIGMAR1HTR4CYP1A2
SCHEMBL2868696 0.91 SIGMAR1 (0.44) NPSR1L3MBTL1CYP2D6SIGMAR1KMT2A
SCHEMBL2863108 0.90 L3MBTL1 (0.44) NPSR1L3MBTL1CYP2D6SIGMAR1KMT2A
SCHEMBL2858188 0.90 L3MBTL1 (0.44) NPSR1L3MBTL1CYP2D6SIGMAR1KMT2A
SCHEMBL2869035 0.89 SMN1; SMN2 (0.43) L3MBTL1LMNA
SCHEMBL2867140 0.88 NPSR1 (0.37) NPSR1L3MBTL1SIGMAR1HTR4PLD2
SCHEMBL2861377 0.88 NPSR1 (0.38) NPSR1L3MBTL1CYP2D6SIGMAR1KMT2A
SCHEMBL2865748 0.87 L3MBTL1 (0.42) HTTL3MBTL1SIGMAR1KMT2ALMNA
SCHEMBL2856576 0.85 NPSR1 (0.37) NPSR1L3MBTL1CYP2D6SIGMAR1KMT2A
SCHEMBL2867838 0.84 TSHR (0.48) L3MBTL1CYP2D6KMT2ACYP1A2

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 HTT 3138/4885NPSR1 211/4885L3MBTL1 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.