SCHEMBL493515

SCHEMBL493515

COc1cc(C)c(S(=O)(=O)CNCCOCC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 6/20 0.37
PTGIR P43119 2/20 0.36
HPGD P15428 1/20 0.35
AVPR1A P37288 3/20 0.34
FAAH O00519 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTR6 P50406 1/20 0.33
F2 P00734 1/20 0.33
EPHX2 P34913 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL492741 0.90 AVPR1B (0.37) AVPR1BHPGDAVPR1AF2ALDH1A1
SCHEMBL493144 0.87 BDKRB1 (0.40) AVPR1BPTGIRHPGDAVPR1A
SCHEMBL493601 0.85 AVPR1B (0.37) AVPR1BPTGIRHPGDAVPR1AHTR6
SCHEMBL492174 0.84 EPHX2 (0.44) AVPR1BPTGIRAVPR1AFAAHBCHE
SCHEMBL493516 0.84 PTGIR (0.39) PTGIRHPGDFAAHBCHEACHE
SCHEMBL493441 0.84 AVPR1A (0.40) AVPR1BPTGIRAVPR1AF2ALDH1A1
SCHEMBL493810 0.83 AVPR1A (0.42) AVPR1BAVPR1AFAAHBCHEACHE
SCHEMBL493122 0.80 AVPR1A (0.40) AVPR1AEPHX2
SCHEMBL493396 0.80 EPHX2 (0.44) AVPR1BHPGDAVPR1AFAAHBCHE
SCHEMBL493275 0.80 AVPR1A (0.40) AVPR1BAVPR1AEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD AVPR1B 780/4885PTGIR 121/4885HPGD 213/4885

“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.