SCHEMBL2869050

SCHEMBL2869050

O=C(CCc1ccccc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ASAH1 Q13510 2/20 0.34
FKBP1A P62942 1/20 0.33
MC4R P32245 1/20 0.33
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KEAP1 Q14145 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 2/20 0.32

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
SCHEMBL2862229 0.94 NPSR1 (0.39) NPSR1ASAH1NPC1EPHX2
SCHEMBL2864536 0.85 MC4R (0.46) NPSR1MEN1KMT2AASAH1FKBP1A
Hydrochloric Acid SCHEMBL2862198 0.79 NPSR1 (0.40) NPSR1ALDH1A1L3MBTL1
SCHEMBL2860998 0.79 NPSR1 (0.41) NPSR1MC4RL3MBTL1
SCHEMBL2856555 0.78 NPSR1 (0.38) NPSR1PARP1ALDH1A1L3MBTL1
SCHEMBL2866028 0.77 NPSR1 (0.40) NPSR1
SCHEMBL2868059 0.77 NPSR1 (0.39) NPSR1KMT2AMC4RPARP1NPC1
Hydrochloric Acid SCHEMBL2865790 0.76 NPSR1 (0.39) NPSR1ASAH1
SCHEMBL6039467 0.76 NPSR1 (0.37) NPSR1
SCHEMBL2858851 0.76 NPSR1 (0.47) NPSR1MC4RALDH1A1

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 211/4885MEN1 4666/4885KMT2A 922/4885

“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.