SCHEMBL2861976

SCHEMBL2861976

O=C(Nc1ccccc1F)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
F10 P00742 1/20 0.36
POLB P06746 2/20 0.35
EPHX2 P34913 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RCE1 Q9Y256 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NPC1 O15118 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
SCHEMBL2860452 0.90 GRIN2B (0.43) ALDH1A1NPSR1SMN1; SMN2MAPTF10
SCHEMBL2863081 0.87 KDM4E (0.43) ALDH1A1LMNAMEN1KMT2ANPSR1
SCHEMBL2856717 0.85 NPSR1 (0.46) LMNAMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2869316 0.85 NPSR1 (0.35) NPSR1SMN1; SMN2F10KDM4ENPC1
SCHEMBL2862239 0.84 HTT (0.39) KMT2AL3MBTL1NPSR1SMN1; SMN2F10
SCHEMBL2868224 0.84 TDP1 (0.43) ALDH1A1L3MBTL1NPSR1SMN1; SMN2POLB
SCHEMBL2871757 0.84 DHPS (0.40) ALDH1A1NPSR1HTTKDM4E
SCHEMBL2867440 0.84 EP300 (0.42) NPSR1
SCHEMBL2866128 0.83 STING1 (0.38) MEN1KMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL2863335 0.83 TNKS (0.46) MEN1KMT2ANPSR1SMN1; SMN2MAPT

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 ALDH1A1 2926/4885LMNA 4583/4885MEN1 4666/4885

“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.