SCHEMBL493528

SCHEMBL493528

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)COCCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
KMT2A Q03164 5/20 0.43
POLB P06746 1/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL492553 0.92 PKM (0.47) PKMKMT2AALDH1A1TSHRMAPT
SCHEMBL492963 0.89 ALDH1A1 (0.47) PKMKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL493068 0.88 KMT2A (0.41) PKMKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL493059 0.85 PKM (0.47) PKMKMT2APOLBALDH1A1TSHR
SCHEMBL492994 0.85 PKM (0.43) PKMKMT2AALDH1A1TSHRMAPT
SCHEMBL493312 0.84 KMT2A (0.49) PKMKMT2AALDH1A1TSHRMAPT
SCHEMBL493023 0.83 EPHX2 (0.40) PKMKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL493713 0.83 CYP2C19 (0.44) PKMKMT2APOLBALDH1A1LMNA
SCHEMBL493187 0.83 PKM (0.44) PKMKMT2APOLBALDH1A1TSHR
SCHEMBL492931 0.81 CCL5 (0.43) PKMKMT2AALDH1A1TSHRMAPT

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 PKM 1161/4885KMT2A 1749/4885POLB 2120/4885

“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.