SCHEMBL493810

SCHEMBL493810

COc1cc(C)c(S(=O)(=O)N2CCN(CCOCC(=O)NCC3CCC(C(c4ccccc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.42
EPHX2 P34913 2/20 0.42
AVPR1B P47901 6/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR6 P50406 1/20 0.39
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HTR4 Q13639 2/20 0.37

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
SCHEMBL493871 0.93 EPHX2 (0.47) AVPR1AEPHX2AVPR1BHTR4
SCHEMBL492716 0.93 EPHX2 (0.41) AVPR1AEPHX2AVPR1BKMT2AHTR6
SCHEMBL494214 0.93 EPHX2 (0.40) AVPR1AEPHX2AVPR1BMEN1KMT2A
SCHEMBL492174 0.92 EPHX2 (0.44) AVPR1AEPHX2AVPR1BMEN1KMT2A
SCHEMBL492678 0.90 AVPR1A (0.43) AVPR1AEPHX2AVPR1BMEN1KMT2A
SCHEMBL493574 0.88 AVPR1B (0.43) AVPR1AEPHX2AVPR1BHTR6FAAH
SCHEMBL493396 0.87 EPHX2 (0.44) AVPR1AEPHX2AVPR1BMEN1KMT2A
SCHEMBL493512 0.87 EPHX2 (0.40) AVPR1AEPHX2AVPR1BKMT2AHTR6
SCHEMBL493076 0.87 EPHX2 (0.46) AVPR1AEPHX2AVPR1BHTR4
SCHEMBL493838 0.86 EPHX2 (0.39) AVPR1AEPHX2AVPR1BMEN1KMT2A

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 AVPR1A 537/4885EPHX2 2567/4885AVPR1B 780/4885

“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.