SCHEMBL2861377

SCHEMBL2861377

O=C(NCCN1CCSCC1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
HTR4 Q13639 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLR1A O95602 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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) NPSR1SIGMAR1HTR4L3MBTL1POLB
SCHEMBL2863108 0.91 L3MBTL1 (0.44) NPSR1SIGMAR1L3MBTL1POLBMEN1
SCHEMBL2858188 0.91 L3MBTL1 (0.44) NPSR1SIGMAR1L3MBTL1POLBMEN1
SCHEMBL2869035 0.90 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2862082 0.90 HTR4 (0.43) NPSR1SIGMAR1HTR4POLB
SCHEMBL2864346 0.88 HTT (0.39) NPSR1SIGMAR1HTR4L3MBTL1KMT2A
SCHEMBL2867140 0.87 NPSR1 (0.37) NPSR1SIGMAR1HTR4L3MBTL1PLD2
SCHEMBL2856576 0.85 NPSR1 (0.37) NPSR1SIGMAR1HTR4L3MBTL1POLB
SCHEMBL2867838 0.85 TSHR (0.48) L3MBTL1MEN1KMT2AALDH1A1CYP2D6
SCHEMBL2865817 0.85 ALDH1A1 (0.47) POLBMEN1KMT2AALDH1A1CYP2D6

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 211/4885SIGMAR1 71/4885HTR4 693/4885

“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.