SCHEMBL493300

SCHEMBL493300

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)COC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.39
CCL5 P13501 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 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
SCHEMBL493163 0.96 CCL5 (0.41) DPP4POLBCCL5KMT2AMAPT
SCHEMBL493406 0.93 POLB (0.40) DPP4POLBCCL5KMT2AMAPT
SCHEMBL493510 0.92 DPP4 (0.44) DPP4KMT2AMAPTATMMEN1
SCHEMBL492904 0.91 KMT2A (0.41) CCL5KMT2AMAPTATMMEN1
SCHEMBL493193 0.91 KMT2A (0.43) CCL5KMT2AMAPTATMMEN1
SCHEMBL492661 0.90 KMT2A (0.37) CCL5KMT2AMAPTATMMEN1
SCHEMBL493433 0.90 KMT2A (0.41) POLBCCL5KMT2AMAPTATM
SCHEMBL493422 0.90 DPP4 (0.39) DPP4POLBCCL5KMT2AMAPT
SCHEMBL493113 0.88 PKM (0.46) DPP4POLBCCL5KMT2AMAPT
SCHEMBL493582 0.88 ALDH1A1 (0.42) DPP4POLBCCL5KMT2AMAPT

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 DPP4 877/4885POLB 2120/4885CCL5 3564/4885

“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.