SCHEMBL2862002

SCHEMBL2862002

O=C(NCCN1CCCCC1)C1CNCC2C(=O)OC(c3cccc(F)c3)(c3cccc(F)c3)N12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.42
HTR3A P46098 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
MAP4K4 O95819 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLD2 O14939 2/20 0.36
PLD1 Q13393 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2858188 0.90 L3MBTL1 (0.44) L3MBTL1SIGMAR1MEN1KMT2ACYP3A4
SCHEMBL2863108 0.90 L3MBTL1 (0.44) L3MBTL1SIGMAR1MEN1KMT2ACYP3A4
SCHEMBL2863395 0.89 HTR3A (0.40) CACNA1GHTR3AL3MBTL1SIGMAR1MEN1
SCHEMBL2868696 0.89 SIGMAR1 (0.44) L3MBTL1SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL2863796 0.88 NPSR1 (0.33) CACNA1GHTR3AMEN1KMT2APLD2
SCHEMBL6039852 0.86 NPSR1 (0.36) SIGMAR1MEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL2861673 0.85 NPSR1 (0.35) SIGMAR1MEN1KMT2AKCNH2
SCHEMBL2867845 0.85 CYP3A4 (0.46) CACNA1GL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL2867838 0.85 TSHR (0.48) L3MBTL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2869035 0.82 SMN1; SMN2 (0.43) L3MBTL1

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 6 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 claimed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US claimed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP claimed
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 CACNA1G 1819/4885HTR3A 213/4885L3MBTL1 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.