SCHEMBL2869200

SCHEMBL2869200

CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN3C(=O)OC(c4ccccc4)(c4ccccc4)C3C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
GPR119 Q8TDV5 3/20 0.49
ADRB2 P07550 1/20 0.49
APLNR P35414 1/20 0.49
GLP1R P43220 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
SFRP1 Q8N474 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
YAP1 P46937 2/20 0.40
KDM1A O60341 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL2862930 0.88 NPSR1 (0.60) NPSR1GPR119ADRB2APLNRGLP1R
SCHEMBL2861988 0.86 NPSR1 (0.52) NPSR1GPR119ADRB2APLNRGLP1R
SCHEMBL2863389 0.86 NPSR1 (0.56) NPSR1GPR119ADRB2APLNRGLP1R
SCHEMBL2868953 0.84 NPSR1 (0.57) NPSR1GPR119ADRB2APLNRGLP1R
SCHEMBL2861921 0.82 NPSR1 (0.53) NPSR1GPR119ADRB2APLNRGLP1R
Hydrochloric Acid SCHEMBL2858769 0.81 NPSR1 (0.57) NPSR1GPR119ADRB2APLNRGLP1R
SCHEMBL2868872 0.75 NPSR1 (0.65) NPSR1GPR119ADRB2APLNRGLP1R
SCHEMBL2864726 0.75 NPSR1 (0.61) NPSR1GPR119ADRB2APLNRGLP1R
SCHEMBL2856780 0.74 NPSR1 (0.43) NPSR1GPR119ADRB2APLNRGLP1R
SCHEMBL2869044 0.74 NPSR1 (0.69) NPSR1GPR119ADRB2APLNRGLP1R

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 211/4885GPR119 75/4885ADRB2 449/4885

“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.