SCHEMBL493152

SCHEMBL493152

CN(C)C(c1cccs1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 6/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 5/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL493906 0.93 ALDH1A1 (0.44) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL492425 0.93 ALDH1A1 (0.43) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL493171 0.93 ALDH1A1 (0.43) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL493036 0.93 ALDH1A1 (0.44) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL492789 0.89 ALDH1A1 (0.46) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL493140 0.89 ALDH1A1 (0.43) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL493381 0.89 KMT2A (0.44) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL492613 0.88 KMT2A (0.49) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL492707 0.86 KMT2A (0.46) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL493136 0.86 ALDH1A1 (0.43) ALDH1A1PKMMEN1KMT2ALMNA

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 ALDH1A1 1349/4885PKM 1161/4885MEN1 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.