SCHEMBL15045830

SCHEMBL15045830

CNC(=O)NCC1CCc2ccccc2O1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
HTR1A P08908 5/20 0.48
HTR1D P28221 5/20 0.48
MTNR1A P48039 1/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL1380267 0.86 MTNR1A (0.62) CA2HTR1AHTR1DMTNR1ADRD2
SCHEMBL1385775 0.86 MTNR1A (0.62) CA2HTR1AHTR1DMTNR1ADRD2
SCHEMBL1380270 0.86 MTNR1A (0.62) CA2HTR1AHTR1DMTNR1ADRD2
SCHEMBL1567983 0.85 CA2 (0.60) CA2HTR1AHTR1DMTNR1ADRD2
SCHEMBL4935025 0.85 CA2 (0.60) CA2HTR1AHTR1DDRD2DRD4
SCHEMBL23195321 0.82 CA2 (0.58) CA2HTR1AHTR1DDRD2DRD4
SCHEMBL30152355 0.82 CA2 (0.58) CA2HTR1AHTR1DDRD2DRD4
Cycloheptane SCHEMBL8317003 0.82 CA2 (0.58) CA2HTR1AHTR1DDRD2DRD4
Cyclopropane SCHEMBL6954169 0.82 CA2 (0.58) CA2HTR1AHTR1DDRD2DRD4
SCHEMBL6955676 0.82 CA2 (0.58) CA2HTR1AHTR1DMTNR1ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US 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-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 CA2 650/4885HTR1A 133/4885HTR1D 104/4885

“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.