SCHEMBL493586

SCHEMBL493586

CCN(CCOCC(=O)NCC1CCC(C(CCc2ccccc2)N(C)C)CC1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 6/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
AVPR1A P37288 4/20 0.35
CXCR3 P49682 1/20 0.35
F2 P00734 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL493826 0.95 CXCR3 (0.39) AVPR1BALDH1A1SMN1; SMN2LMNAAVPR1A
SCHEMBL492872 0.92 AVPR1B (0.40) AVPR1BAVPR1AF2
SCHEMBL493601 0.88 AVPR1B (0.37) AVPR1BALDH1A1SMN1; SMN2LMNAAVPR1A
SCHEMBL493271 0.85 CXCR3 (0.44) CXCR3
SCHEMBL493250 0.85 EPHX2 (0.42) AVPR1BALDH1A1SMN1; SMN2AVPR1AFAAH
SCHEMBL493441 0.84 AVPR1A (0.40) AVPR1BALDH1A1SMN1; SMN2LMNAAVPR1A
SCHEMBL493574 0.83 AVPR1B (0.43) AVPR1BAVPR1AFAAHBCHEACHE
SCHEMBL494402 0.83 BDKRB1 (0.48)
SCHEMBL492843 0.82 KDM4E (0.34) AVPR1BALDH1A1SMN1; SMN2LMNAAVPR1A
SCHEMBL493157 0.82 AVPR1A (0.39) AVPR1BALDH1A1SMN1; SMN2LMNAAVPR1A

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 1349/4885SMN1; SMN2 1729/4885

“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.