SCHEMBL493439

SCHEMBL493439

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
BDKRB1 P46663 1/20 0.43
DPP4 P27487 6/20 0.40
DPP7 Q9UHL4 5/20 0.40
LMNA P02545 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
SPPL2B Q8TCT7 1/20 0.39
SPPL2A Q8TCT8 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
EPHX2 P34913 3/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FASN P49327 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2A P28223 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL492656 0.93 L3MBTL1 (0.44) L3MBTL1BDKRB1DPP4DPP7LMNA
SCHEMBL492945 0.93 LMNA (0.41) L3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL492711 0.91 KMT2A (0.43) L3MBTL1BDKRB1LMNAMAPTKMT2A
SCHEMBL492973 0.91 L3MBTL1 (0.42) L3MBTL1BDKRB1DPP4DPP7LMNA
SCHEMBL493086 0.89 BDKRB1 (0.42) BDKRB1DPP4DPP7PSEN1PSEN2
SCHEMBL493268 0.89 LMNA (0.38) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL492822 0.89 LMNA (0.40) LMNASMN1; SMN2KMT2A
SCHEMBL493590 0.89 BDKRB1 (0.42) L3MBTL1BDKRB1DPP4DPP7PSEN1
SCHEMBL493028 0.85 L3MBTL1 (0.42) L3MBTL1BDKRB1DPP4DPP7LMNA
SCHEMBL493164 0.85 LMNA (0.46) BDKRB1LMNAMAPTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 L3MBTL1 4753/4885BDKRB1 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.