SCHEMBL492647

SCHEMBL492647

CN(C)C(c1ccccc1)C1CCC(NC(=O)CCOCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
CCR5 P51681 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ACLY P53396 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
ESR2 Q92731 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
SCHEMBL493160 0.89 PTGIR (0.36) KMT2AMEN1MAPT
SCHEMBL492815 0.87 BDKRB1 (0.36) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL643276 0.86 BCHE (0.38) RAB9AALDH1A1HPGDCYP3A4CYP2C19
SCHEMBL646485 0.86 BCHE (0.40) RAB9AALDH1A1POLB
SCHEMBL493265 0.82 BDKRB1 (0.35) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL492775 0.82 ALDH1A1 (0.37) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL492648 0.80 HTR2A (0.34) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL492955 0.80 BDKRB1 (0.41) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL2489242 0.79 ICMT (0.35) KMT2AMEN1CCR5ACLY
SCHEMBL492948 0.79 LMNA (0.37) RAB9AMAPTALDH1A1HPGDGAA

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 RAB9A 2004/4885KMT2A 1749/4885MEN1 4132/4885

“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.