SCHEMBL493352

SCHEMBL493352

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
BLM P54132 1/20 0.38
MAPT P10636 3/20 0.37
PKM P14618 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL492813 1.00 KMT2A (0.41) KMT2AALDH1A1POLBMEN1HDAC3
SCHEMBL493876 0.96 KMT2A (0.44) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL493124 0.93 MEN1 (0.41) KMT2AALDH1A1POLBMEN1HDAC3
SCHEMBL492878 0.93 KMT2A (0.42) KMT2AALDH1A1MEN1HDAC3HDAC4
SCHEMBL492911 0.93 KMT2A (0.42) KMT2AALDH1A1POLBMEN1BLM
SCHEMBL492470 0.93 KMT2A (0.42) KMT2AALDH1A1POLBMEN1BLM
SCHEMBL492619 0.93 ALDH1A1 (0.41) KMT2AALDH1A1POLBMEN1HDAC3
SCHEMBL493443 0.93 KMT2A (0.44) KMT2AALDH1A1MEN1HDAC3HDAC4
SCHEMBL493433 0.92 KMT2A (0.41) KMT2AALDH1A1POLBMEN1HDAC3
SCHEMBL493091 0.90 TRPV4 (0.39) KMT2AMEN1MAPTGPR119LMNA

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 KMT2A 1749/4885ALDH1A1 1349/4885POLB 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.