SCHEMBL493364

SCHEMBL493364

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 2/20 0.43
CCL5 P13501 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
CETP P11597 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP5 P45974 1/20 0.39
TP53 P04637 1/20 0.38
TDO2 P48775 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL493582 0.95 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL493193 0.92 KMT2A (0.43) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL493998 0.92 KMT2A (0.49) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL493299 0.91 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL493406 0.91 POLB (0.40) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL492510 0.91 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL493423 0.90 CCL5 (0.38) ALDH1A1KMT2AMAPTATMCCL5
SCHEMBL493753 0.89 KMT2A (0.45) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL492846 0.89 PKM (0.52) ALDH1A1KMT2AMAPTATMPKM
SCHEMBL492941 0.89 KMT2A (0.42) ALDH1A1KMT2AMAPTATMCCL5

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 1349/4885KMT2A 1749/4885MAPT 1653/4885

“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.