SCHEMBL493582

SCHEMBL493582

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CCL5 P13501 1/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
USP5 P45974 1/20 0.36
DPP4 P27487 1/20 0.36
CCR5 P51681 1/20 0.36
POLB P06746 1/20 0.36
CETP P11597 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 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
SCHEMBL493406 0.96 POLB (0.40) ALDH1A1CCL5KMT2AMAPTATM
SCHEMBL492510 0.95 ALDH1A1 (0.41) ALDH1A1CCL5KMT2AMAPTATM
SCHEMBL493364 0.95 ALDH1A1 (0.45) ALDH1A1CCL5KMT2AMAPTATM
SCHEMBL493423 0.94 CCL5 (0.38) ALDH1A1CCL5KMT2AMAPTATM
SCHEMBL492941 0.94 KMT2A (0.42) ALDH1A1CCL5KMT2AMAPTATM
SCHEMBL493163 0.93 CCL5 (0.41) ALDH1A1CCL5KMT2AMAPTATM
SCHEMBL492784 0.92 KMT2A (0.46) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL492609 0.92 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL493390 0.92 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL493189 0.92 GAA (0.42) KMT2AL3MBTL1SMN1; SMN2TP53

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 1349/4885CCL5 3564/4885KMT2A 1749/4885

“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.