SCHEMBL492848

SCHEMBL492848

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COCCN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 1/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP9 P55211 1/20 0.38
CASP8 Q14790 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL492931 0.93 CCL5 (0.43) CCL5KMT2AMAPTATMMEN1
SCHEMBL492886 0.93 KMT2A (0.45) CCL5KMT2AMAPTATMMEN1
SCHEMBL493068 0.92 KMT2A (0.41) KMT2AMAPTATMMEN1PKM
SCHEMBL492553 0.88 PKM (0.47) CCL5KMT2AMAPTATMMEN1
SCHEMBL493753 0.87 KMT2A (0.45) CCL5KMT2AMAPTATMMEN1
SCHEMBL493193 0.87 KMT2A (0.43) CCL5KMT2AMAPTATMMEN1
SCHEMBL493838 0.86 EPHX2 (0.39) KMT2AMEN1
SCHEMBL493422 0.85 DPP4 (0.39) CCL5KMT2AMAPTATMMEN1
SCHEMBL492963 0.85 ALDH1A1 (0.47) KMT2AMAPTATMPKMHPGD
SCHEMBL493333 0.85 KMT2A (0.45) KMT2AMAPTATMMEN1PKM

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 CCL5 3564/4885KMT2A 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.