SCHEMBL493043

SCHEMBL493043

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.38
PTGIR P43119 5/20 0.36
HTR6 P50406 2/20 0.36
OPRL1 P41146 3/20 0.35
TACR3 P29371 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
GRM5 P41594 1/20 0.33
OPRM1 P35372 2/20 0.33
SLC9A3 P48764 1/20 0.32

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
SCHEMBL494153 0.95 PTGIR (0.35) BDKRB1PTGIRHTR6OPRL1TACR3
SCHEMBL492894 0.92 BDKRB1 (0.37) BDKRB1HTR6OPRL1TACR3NR1H4
SCHEMBL493135 0.92 BDKRB1 (0.39) BDKRB1PTGIRHTR6NR1H4GRM5
SCHEMBL493901 0.91 PTGIR (0.41) BDKRB1PTGIR
SCHEMBL493579 0.90 CXCR3 (0.38) PTGIRHTR6OPRL1SLC9A3
SCHEMBL492558 0.90 HTR7 (0.35) BDKRB1PTGIRHTR6OPRL1OPRM1
SCHEMBL492545 0.89 BDKRB1 (0.39) BDKRB1OPRL1TACR3
SCHEMBL493251 0.89 HTR6 (0.38) PTGIRHTR6OPRL1
SCHEMBL493380 0.89 BDKRB1 (0.40) BDKRB1PTGIRSLC9A3
SCHEMBL492577 0.88 SLC9A3 (0.36) BDKRB1PTGIROPRL1TACR3OPRM1

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 BDKRB1 1622/4885PTGIR 121/4885HTR6 2114/4885

“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.