SCHEMBL2856583

SCHEMBL2856583

O=C(C1CCN(CC2CC2)CC1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
ADRB2 P07550 1/20 0.53
APLNR P35414 1/20 0.53
GLP1R P43220 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
GPR119 Q8TDV5 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
CHRM3 P20309 2/20 0.37
CCR5 P51681 3/20 0.37
CHRM2 P08172 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MC4R P32245 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2871897 0.89 NPSR1 (0.58) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2868794 0.88 NPSR1 (0.57) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2870945 0.87 NPSR1 (0.56) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2872990 0.87 NPSR1 (0.56) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2865312 0.85 NPSR1 (0.55) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2869040 0.85 NPSR1 (0.54) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2870596 0.85 NPSR1 (0.58) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2870926 0.84 NPSR1 (0.53) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2866700 0.83 NPSR1 (0.56) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2865785 0.82 NPSR1 (0.58) NPSR1ADRB2APLNRGLP1RFFAR4

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 211/4885ADRB2 449/4885APLNR 136/4885

“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.