SCHEMBL493706

SCHEMBL493706

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4ccc(Cl)cc4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
AVPR1A P37288 10/20 0.39
HTR6 P50406 1/20 0.36
FPR2 P25090 4/20 0.34
PROKR1 Q8TCW9 4/20 0.34
KCNT1 Q5JUK3 1/20 0.34
AVPR1B P47901 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
SCHEMBL492889 0.96 EPHX2 (0.44) EPHX2AVPR1AHTR6AVPR1B
SCHEMBL493728 0.96 EPHX2 (0.49) EPHX2AVPR1AHTR6FPR2PROKR1
SCHEMBL494263 0.93 EPHX2 (0.46) EPHX2AVPR1AHTR6FPR2PROKR1
SCHEMBL492724 0.93 EPHX2 (0.40) EPHX2HTR6
SCHEMBL492268 0.93 EPHX2 (0.41) EPHX2AVPR1AHTR6AVPR1B
SCHEMBL493683 0.91 EPHX2 (0.39) EPHX2FPR2PROKR1
SCHEMBL493421 0.90 EPHX2 (0.46) EPHX2
SCHEMBL493594 0.89 EPHX2 (0.43) EPHX2AVPR1AHTR6AVPR1B
SCHEMBL492790 0.89 EPHX2 (0.38) EPHX2HTR6
SCHEMBL493218 0.89 HTR6 (0.39) EPHX2AVPR1AHTR6AVPR1B

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 EPHX2 2567/4885AVPR1A 537/4885HTR6 2114/4885

“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.