SCHEMBL492785

SCHEMBL492785

CN(CCOCC(=O)NC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 1/20 0.35
SIGMAR1 Q99720 4/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CRHR1 P34998 1/20 0.34
TACR1 P25103 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TACR2 P21452 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR3 P29371 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
SCHEMBL492747 0.93 LMNA (0.37) SIGMAR1HTTALDH1A1POLBCRHR1
SCHEMBL493343 0.93 NAPEPLD (0.37) NAPEPLDSIGMAR1HTTALDH1A1MEN1
SCHEMBL492761 0.91 ALDH1A1 (0.39) NAPEPLDSIGMAR1HTTALDH1A1POLB
SCHEMBL493395 0.91 NAPEPLD (0.37) NAPEPLDHTTALDH1A1MEN1KMT2A
SCHEMBL493151 0.88 TACR1 (0.37) CRHR1TACR1MEN1KMT2ATACR2
SCHEMBL493228 0.86 MCHR1 (0.37) NAPEPLDSIGMAR1HTTALDH1A1MEN1
SCHEMBL493625 0.86 L3MBTL1 (0.36) SIGMAR1ALDH1A1POLBMEN1KMT2A
SCHEMBL493387 0.85 GRM5 (0.36) NAPEPLDTACR1TACR2
SCHEMBL493573 0.85 BDKRB1 (0.48)
SCHEMBL492892 0.84 BDKRB1 (0.39) SIGMAR1ALDH1A1POLBMEN1KMT2A

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 4 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
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 NAPEPLD 10/4885SIGMAR1 84/4885HTT 3541/4885

“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.