SCHEMBL2862934

SCHEMBL2862934

O=C1OC(C2CCCCC2)(C2CCCCC2)C2CNCCN12

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.31
HTR6 P50406 1/20 0.31
HTR2A P28223 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL2865290 0.94 HTR2C (0.33) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL30803937 0.74 HTR2C (0.35) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL2865912 0.74 HTR2C (0.37) HTR2CHTR2AALDH1A1CYP1A2CYP3A4
SCHEMBL2856594 0.68 NPSR1 (0.47) HTR2CHTR2AHTR2B
SCHEMBL2859274 0.66 HTR2C (0.40) HTR2CHTR6HTR2AHTR2B
SCHEMBL2858342 0.65 SLC6A2 (0.44) HTR2CHTR2AHTR2B
SCHEMBL2867919 0.63 NPSR1 (0.46) HTR2CHTR2AALDH1A1HTR2B
SCHEMBL12062877 0.62 HTR2C (0.44) HTR2CHTR2AHTR2B
SCHEMBL18075899 0.62 PLA2G7 (0.32) ALDH1A1
SCHEMBL6087903 0.61 HTR6 (0.46) HTR2CHTR6HTR2AHTR2B

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 264/4885HTR6 1953/4885HTR2A 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.