SCHEMBL493722

SCHEMBL493722

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 6/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AVPR1A P37288 6/20 0.37
CXCR3 P49682 1/20 0.37
HPGD P15428 1/20 0.34
HCRTR2 O43614 1/20 0.34
PTGIR P43119 1/20 0.34
F2 P00734 1/20 0.33
KCNH2 Q12809 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
SCHEMBL493441 0.95 AVPR1A (0.40) AVPR1BALDH1A1LMNASMN1; SMN2AVPR1A
SCHEMBL494497 0.94 AVPR1B (0.38) AVPR1BALDH1A1LMNASMN1; SMN2AVPR1A
SCHEMBL493247 0.94 AVPR1A (0.37) AVPR1BALDH1A1LMNASMN1; SMN2AVPR1A
SCHEMBL493275 0.94 AVPR1A (0.40) AVPR1BALDH1A1LMNASMN1; SMN2AVPR1A
SCHEMBL492615 0.91 CXCR3 (0.41) ALDH1A1LMNASMN1; SMN2CXCR3PTGIR
SCHEMBL493012 0.91 BDKRB1 (0.34) AVPR1BALDH1A1LMNASMN1; SMN2AVPR1A
SCHEMBL493524 0.91 AVPR1A (0.37) AVPR1BALDH1A1LMNAAVPR1AHCRTR2
SCHEMBL493601 0.89 AVPR1B (0.37) AVPR1BALDH1A1LMNASMN1; SMN2AVPR1A
SCHEMBL493788 0.87 AVPR1B (0.37) AVPR1BALDH1A1LMNASMN1; SMN2AVPR1A
SCHEMBL493922 0.87 AVPR1A (0.39) AVPR1BLMNASMN1; SMN2AVPR1ACXCR3

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 780/4885ALDH1A1 1349/4885LMNA 2485/4885

“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.