SCHEMBL2858342

SCHEMBL2858342

O=C1OC(Cc2ccccc2)(Cc2ccccc2)C2CNCCN12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
HTR2C P28335 11/20 0.38
HTR2B P41595 9/20 0.38
HTR2A P28223 8/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
SIGMAR1 Q99720 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
SCHEMBL2856594 0.77 NPSR1 (0.47) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL6398688 0.72 SMN1; SMN2 (0.40) NPSR1CHRM2CHRM3
SCHEMBL2867919 0.69 NPSR1 (0.46) HTR2CHTR2BHTR2ANPSR1CHRM2
SCHEMBL2865912 0.69 HTR2C (0.37) HTR2CHTR2BHTR2A
SCHEMBL30803937 0.69 HTR2C (0.35) HTR2CHTR2BHTR2A
SCHEMBL2858344 0.68 HTR2C (0.38) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL2865290 0.67 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL2859274 0.67 HTR2C (0.40) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL2862934 0.65 HTR2C (0.31) HTR2CHTR2BHTR2A
SCHEMBL2870036 0.64 SIGMAR1 (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2B

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

“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.