SCHEMBL492810

SCHEMBL492810

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
BDKRB1 P46663 2/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CXCR3 P49682 1/20 0.36
CHRM4 P08173 4/20 0.35
PTGIR P43119 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
SPPL2B Q8TCT7 1/20 0.34
SPPL2A Q8TCT8 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PTGER1 P34995 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
SCHEMBL493168 0.94 CXCR3 (0.41) OPRM1BDKRB1DPP4DPP7CXCR3
SCHEMBL493303 0.93 ALDH1A1 (0.39) BDKRB1PTGIRSMN1; SMN2LMNAL3MBTL1
SCHEMBL493166 0.93 KMT2A (0.37) BDKRB1SMN1; SMN2LMNAHTT
SCHEMBL492803 0.91 SMN1; SMN2 (0.36) OPRM1BDKRB1PTGIRSMN1; SMN2LMNA
SCHEMBL493590 0.91 BDKRB1 (0.42) BDKRB1DPP4DPP7CXCR3CHRM4
SCHEMBL492914 0.91 OPRL1 (0.37) BDKRB1PTGIRMAPTPSEN1PSEN2
SCHEMBL492973 0.89 L3MBTL1 (0.42) OPRM1BDKRB1DPP4DPP7SMN1; SMN2
SCHEMBL493170 0.88 LMNA (0.39) OPRM1BDKRB1SMN1; SMN2MAPTLMNA
SCHEMBL493855 0.88 BDKRB1 (0.41) BDKRB1DPP4DPP7CXCR3CHRM4
SCHEMBL493349 0.87 ALDH1A1 (0.40) BDKRB1SMN1; SMN2MAPTL3MBTL1GAA

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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 OPRM1 20/4885BDKRB1 1622/4885DPP4 877/4885

“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.