SCHEMBL4518453

SCHEMBL4518453

COc1cccc2c1C[C@@H](NC(=O)O)CO2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 4/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL20554826 1.00 MTNR1A (0.48) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL9786948 0.90 MTNR1A (0.61) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL13889139 0.88 HTR1A (0.49) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL4520723 0.86 SCN9A (0.46) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL28356770 0.86 MTNR1A (0.45) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL4505997 0.82 DRD2 (0.52) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL14157823 0.82 DRD2 (0.52) HTR1ADRD2DRD1HTR1BHTR2A
SCHEMBL20873491 0.82 MEN1 (0.46) MAPT
SCHEMBL20873473 0.81 SCN9A (0.42) MTNR1A
SCHEMBL4747000 0.81 SCN9A (0.42) MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A MTNR1A 130/4885MTNR1B 164/4885HTR1A 3/4885

“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.