SCHEMBL493441

SCHEMBL493441

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.40
AVPR1B P47901 7/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CXCR3 P49682 3/20 0.39
F2 P00734 1/20 0.35
PTGIR P43119 1/20 0.35

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
SCHEMBL493722 0.95 AVPR1B (0.37) AVPR1AAVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493275 0.95 AVPR1A (0.40) AVPR1AAVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493247 0.94 AVPR1A (0.37) AVPR1AAVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493601 0.93 AVPR1B (0.37) AVPR1AAVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493740 0.91 CXCR3 (0.43) ALDH1A1LMNASMN1; SMN2CXCR3PTGIR
SCHEMBL493144 0.91 BDKRB1 (0.40) AVPR1AAVPR1BPTGIR
SCHEMBL492971 0.90 AVPR1A (0.41) AVPR1AAVPR1BALDH1A1LMNAF2
SCHEMBL493826 0.89 CXCR3 (0.39) AVPR1AAVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL494497 0.89 AVPR1B (0.38) AVPR1AAVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493922 0.89 AVPR1A (0.39) AVPR1AAVPR1BLMNASMN1; SMN2CXCR3

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 AVPR1A 537/4885AVPR1B 780/4885ALDH1A1 1349/4885

“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.