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SCHEMBL493855

SCHEMBL493855

CN(C)C(c1ccc(Cl)cc1)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
▸ BDKRB1 P46663 1/20 0.41
▸ PSEN1 P49768 2/20 0.37
▸ PSEN2 P49810 2/20 0.37
▸ APH1B Q8WW43 2/20 0.37
▸ NCSTN Q92542 2/20 0.37
▸ APH1A Q96BI3 2/20 0.37
▸ PSENEN Q9NZ42 2/20 0.37
▸ SPPL2B Q8TCT7 1/20 0.37
▸ SPPL2A Q8TCT8 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ SLC9A3 P48764 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 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
SCHEMBL492874 0.93 BDKRB1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL493590 0.93 BDKRB1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL493432 0.93 ALDH1A1 (0.38) BDKRB1SLC9A3ALDH1A1SMN1; SMN2MCOLN3
SCHEMBL493385 0.92 SMN1; SMN2 (0.43) BDKRB1SLC9A3ALDH1A1SMN1; SMN2MCOLN3
SCHEMBL493053 0.91 KMT2A (0.37) SLC9A3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL493206 0.91 KMT2A (0.37) SLC9A3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL492990 0.90 UTS2R (0.36) BDKRB1SLC9A3ALDH1A1SMN1; SMN2LMNA
SCHEMBL492810 0.88 OPRM1 (0.41) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL493345 0.87 KMT2A (0.39) BDKRB1ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL493086 0.87 BDKRB1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN

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 BDKRB1 1622/4885PSEN1 3663/4885PSEN2 2905/4885

“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.