SCHEMBL2859475

SCHEMBL2859475

O=C1OC(c2ccccc2)(c2ccccc2)N2C1CNCC2C(=O)c1cccc(CN2CC=CCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
MAOA P21397 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2856815 0.91 NPSR1 (0.38) NPSR1CHRM2CHRM3HIF1AMEN1
SCHEMBL2866582 0.84 NPSR1 (0.35) NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2863722 0.83 NPSR1 (0.37) NPSR1CYP2D6CYP2C9TSHR
SCHEMBL2867256 0.79 MEN1 (0.35) NPSR1KDM4EMEN1LMNAKMT2A
SCHEMBL2856576 0.79 NPSR1 (0.37) NPSR1CYP2D6CYP2C9MEN1KMT2A
SCHEMBL2858492 0.79 NPSR1 (0.37) NPSR1KDM4EMEN1LMNAMAPK1
SCHEMBL2868076 0.77 SMN1; SMN2 (0.37) NPSR1CYP2D6MEN1KMT2AALDH1A1
SCHEMBL2863358 0.77 UNG (0.37) NPSR1OPRM1
SCHEMBL2868248 0.77 HRH3 (0.35) NPSR1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2867653 0.77 NPSR1 (0.36) NPSR1

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 211/4885CHRM2 2284/4885CHRM3 1302/4885

“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.