SCHEMBL493360

SCHEMBL493360

CN(CCOCC(=O)NC1CCC(C(c2ccccc2)N2CCCC2)CC1)S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 7/20 0.37
CRHR1 P34998 1/20 0.36
TACR2 P21452 2/20 0.36
MCHR1 Q99705 1/20 0.35
SLC6A9 P48067 1/20 0.35
CCR2 P41597 1/20 0.35
BDKRB1 P46663 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL492634 0.94 CACNA2D1 (0.38) LMNAGAASMN1; SMN2TACR1CRHR1
SCHEMBL493151 0.94 TACR1 (0.37) LMNAGAASMN1; SMN2TACR1CRHR1
SCHEMBL492975 0.92 CACNA2D1 (0.37) LMNAGAASMN1; SMN2BDKRB1ALDH1A1
SCHEMBL492596 0.91 ALDH1A1 (0.37) LMNAGAASMN1; SMN2BDKRB1ALDH1A1
SCHEMBL492867 0.90 BDKRB1 (0.39) GAASMN1; SMN2BDKRB1ALDH1A1TDP1
SCHEMBL492758 0.90 GRM5 (0.38) TACR1TACR2SLC6A9BDKRB1
SCHEMBL492747 0.87 LMNA (0.37) LMNAGAASMN1; SMN2TACR1CRHR1
SCHEMBL493117 0.86 CACNA2D1 (0.42) BDKRB1
SCHEMBL493013 0.85 MEN1 (0.37) SMN1; SMN2BDKRB1
SCHEMBL493689 0.85 CACNA2D1 (0.37) LMNAGAASMN1; SMN2MCHR1BDKRB1

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 LMNA 2485/4885GAA 445/4885SMN1; 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.