SCHEMBL2861665

SCHEMBL2861665

Cc1ccc(CN2CCN3C(=O)OC(c4ccc(C)cc4)(c4ccc(C)cc4)C3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
ADRB2 P07550 1/20 0.44
APLNR P35414 1/20 0.44
GLP1R P43220 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2856778 0.94 NPSR1 (0.53) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2869621 0.86 NPSR1 (0.46) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2866025 0.85 NPSR1 (0.60) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2859274 0.72 HTR2C (0.40) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2872883 0.71 CHRM3 (0.59) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL21909641 0.67 ALDH1A1 (0.42) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL7989530 0.66 LMNA (0.83) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL1045922 0.66 LMNA (0.83) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL11356824 0.66 LMNA (0.83) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL7989269 0.66 LMNA (0.83) ALDH1A1LMNAPOLBMEN1KMT2A

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.