SCHEMBL492941

SCHEMBL492941

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
CCL5 P13501 1/20 0.36
CCR5 P51681 1/20 0.36
NPC1 O15118 1/20 0.36
FAAH O00519 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL492510 0.95 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1CCL5NPC1
SCHEMBL493423 0.94 CCL5 (0.38) KMT2AMEN1ALDH1A1CCL5NPC1
SCHEMBL493582 0.94 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL493433 0.93 KMT2A (0.41) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL492911 0.91 KMT2A (0.42) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL492470 0.91 KMT2A (0.42) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL492613 0.91 KMT2A (0.49) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL492756 0.91 TRPV4 (0.39) KMT2AMEN1LMNASMN1; SMN2CCL5
SCHEMBL493381 0.90 KMT2A (0.44) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL492967 0.90 KMT2A (0.42) KMT2AMEN1ALDH1A1POLBLMNA

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 1749/4885MEN1 4132/4885ALDH1A1 1349/4885

“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.