SCHEMBL492758

SCHEMBL492758

CN(CCOCC(=O)NCC1CCC(C(c2ccccc2)N2CCCC2)CC1)S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
TACR1 P25103 10/20 0.36
TACR2 P21452 1/20 0.36
PTGIR P43119 2/20 0.35
BDKRB1 P46663 3/20 0.34
FAAH O00519 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CHRM4 P08173 1/20 0.34
SLC6A9 P48067 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
SCHEMBL493208 0.94 GRM5 (0.37) GRM5TACR1TACR2PTGIRBDKRB1
SCHEMBL493688 0.92 PTGIR (0.37) PTGIRBDKRB1FAAHBCHEACHE
SCHEMBL493804 0.91 BDKRB1 (0.38) PTGIRBDKRB1FAAHBCHEACHE
SCHEMBL493360 0.90 LMNA (0.39) TACR1TACR2BDKRB1SLC6A9
SCHEMBL493387 0.88 GRM5 (0.36) GRM5TACR1TACR2PTGIRBDKRB1
SCHEMBL492623 0.86 NAPEPLD (0.36) PTGIRBDKRB1FAAHBCHEACHE
SCHEMBL492927 0.85 CACNA2D1 (0.36) PTGIRBDKRB1FAAHBCHEACHE
SCHEMBL492634 0.85 CACNA2D1 (0.38) TACR1TACR2BDKRB1SLC6A9
SCHEMBL493578 0.84 NAPEPLD (0.37) PTGIRBDKRB1
SCHEMBL493151 0.84 TACR1 (0.37) TACR1TACR2BDKRB1SLC6A9

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 GRM5 1566/4885TACR1 1774/4885TACR2 3151/4885

“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.