SCHEMBL2859274

SCHEMBL2859274

Cc1ccc(C2(c3ccc(C)cc3)OC(=O)N3CCNCC32)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.40
HTR2B P41595 15/20 0.40
HTR2A P28223 14/20 0.40
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTR6 P50406 1/20 0.35
ADRB1 P08588 1/20 0.34
ADRB2 P07550 1/20 0.33
APLNR P35414 1/20 0.33
GLP1R P43220 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL2858341 0.86 NPSR1 (0.44) HTR2CHTR2BHTR2ANPSR1HTR6
SCHEMBL2856594 0.86 NPSR1 (0.47) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL2867919 0.78 NPSR1 (0.46) HTR2CHTR2BHTR2ANPSR1ADRB2
SCHEMBL2868956 0.77 KCNN4 (0.40) HTR2CHTR2BHTR2ANPSR1ADRB2
SCHEMBL2865912 0.73 HTR2C (0.37) HTR2CHTR2BHTR2A
SCHEMBL2861665 0.72 NPSR1 (0.45) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL30803937 0.70 HTR2C (0.35) HTR2CHTR2BHTR2A
SCHEMBL2865290 0.68 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL2859277 0.68 SLC6A3 (0.36) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL25971538 0.67 KDM4E (0.36) SLC6A2SLC6A4SLC6A3KCNH2

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 HTR2C 264/4885HTR2B 534/4885HTR2A 685/4885

“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.