SCHEMBL2864871

SCHEMBL2864871

O=C(NCCN1CC=CCC1)C1CNCC2C(=O)OC(c3ccc(F)cc3)(c3ccc(F)cc3)N12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 1/20 0.36
PLD1 Q13393 7/20 0.34
PLD2 O14939 6/20 0.34
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NAMPT P43490 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2C P28335 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL2871600 0.92 ALDH1A1 (0.37) NPSR1TSHRLMNAHTR1A
SCHEMBL2856576 0.92 NPSR1 (0.37) NPSR1MAOAPLD1PLD2SMN1; SMN2
SCHEMBL2863796 0.90 NPSR1 (0.33) NPSR1PLD1PLD2TSHR
SCHEMBL2863395 0.87 HTR3A (0.40) NPSR1PLD1PLD2LMNACD274
SCHEMBL2868076 0.87 SMN1; SMN2 (0.37) NPSR1MAOATSHRSMN1; SMN2DRD3
SCHEMBL2858492 0.80 NPSR1 (0.37) NPSR1TSHRLMNA
SCHEMBL2867845 0.79 CYP3A4 (0.46) NPSR1TSHRLMNA
SCHEMBL2865812 0.79 NPSR1 (0.51) NPSR1SMN1; SMN2
SCHEMBL2858188 0.79 L3MBTL1 (0.44) NPSR1TSHRLMNA
SCHEMBL2863108 0.79 L3MBTL1 (0.44) NPSR1TSHRLMNA

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 211/4885MAOA 2997/4885PLD1 1582/4885

“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.