SCHEMBL2859277

SCHEMBL2859277

Cc1ccc(C2(c3ccc(C)cc3)OC(=O)C3CNCCN32)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HTR2C P28335 12/20 0.34
HTR2A P28223 10/20 0.34
HTR2B P41595 10/20 0.34
ADRB1 P08588 1/20 0.34
SLC6A9 P48067 3/20 0.33
OPRM1 P35372 1/20 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
SCHEMBL2858343 0.88 NPSR1 (0.45) KCNH2NPSR1HTR2CHTR2AHTR2B
SCHEMBL2856598 0.86 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4NPSR1HTR2C
SCHEMBL2868959 0.78 NPSR1 (0.40) NPSR1HTR2CHTR2AHTR2BSLC6A9
SCHEMBL2865914 0.73 HTR2C (0.34) HTR2CHTR2AHTR2B
SCHEMBL2861668 0.71 NPSR1 (0.33) SLC6A3SLC6A2SLC6A4KCNH2NPSR1
SCHEMBL2859274 0.68 HTR2C (0.40) SLC6A3SLC6A2SLC6A4KCNH2NPSR1
SCHEMBL2858344 0.67 HTR2C (0.38) SLC6A3SLC6A2SLC6A4NPSR1HTR2C
SCHEMBL6026785 0.62 ADRB1 (0.43) HTR2CADRB1
SCHEMBL3449047 0.61 ADRB1 (0.39) HTR2CHTR2AHTR2BADRB1
SCHEMBL16261916 0.60 DPP4 (0.41) HTR2CHTR2AHTR2BADRB1

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 SLC6A3 905/4885SLC6A2 2828/4885SLC6A4 1960/4885

“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.