SCHEMBL14493795

SCHEMBL14493795

COc1ccc2c(c1)C(CCNC(C)=O)CN2O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.62
MTNR1B P49286 15/20 0.62
NQO2 P16083 13/20 0.62
HTR2C P28335 1/20 0.51

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
SCHEMBL6943395 0.87 MTNR1A (0.61) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7129512 0.83 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL1310006 0.81 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6567004 0.80 MTNR1A (0.68) MTNR1AMTNR1BNQO2HTR2C
Hydrochloric Acid SCHEMBL5425189 0.79 MTNR1A (0.67) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7131048 0.78 MTNR1A (0.52) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4260242 0.78 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8886211 0.77 MTNR1A (0.64) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685402 0.77 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685396 0.77 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C

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-20070129312-A1 Convalent conjugates of biologically-active compounds with amino acids and amino acid derivatives for targeting to physiologically-protected sites YATVIN MILTON B 2007-06-07 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-20070129312-A1 Convalent conjugates of biologically-active compounds with amino acids and amino acid derivatives for targeting to physiologically-protected sites SLC7A1, SLC1A1, DNPEP MTNR1A 1204/4885MTNR1B 2214/4885NQO2 382/4885

“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.