SCHEMBL6506680

SCHEMBL6506680

COc1ccc(OC)c(CCNC=O)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
AOC3 Q16853 1/20 0.51
HSD17B10 Q99714 1/20 0.50
IDO1 P14902 2/20 0.49
HTT P42858 1/20 0.47

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
SCHEMBL5542552 0.84 APLNR (0.53) ADRA1ATAAR1HTR2AHTR2CAOC3
SCHEMBL7332987 0.82 ADRA1A (0.62) ADRA1ATAAR1MTNR1AMTNR1BHTR2A
SCHEMBL681333 0.80 ADRA1A (0.64) ADRA1ATAAR1MTNR1AMTNR1BHTR2A
SCHEMBL5267466 0.79 ADRA1A (0.62) ADRA1ATAAR1MTNR1AMTNR1BHTR2A
SCHEMBL2470010 0.79 MTNR1A (0.59) TAAR1MTNR1AMTNR1B
SCHEMBL15757833 0.78 ADRA1A (0.57) ADRA1ATAAR1MTNR1AMTNR1BHTR2A
SCHEMBL18183442 0.77 MTNR1B (0.84) MTNR1AMTNR1BHTR2C
SCHEMBL27002039 0.77 MTNR1A (0.66) ADRA1ATAAR1MTNR1AMTNR1BHSD17B10
SCHEMBL8867858 0.76 ADRA1A (0.68) ADRA1ATAAR1MTNR1AMTNR1BHTR2A
SCHEMBL20153915 0.76 ADRA1A (0.58) ADRA1ATAAR1MTNR1AMTNR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ADRA1A 38/4885TAAR1 121/4885MTNR1A 132/4885

“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.