SCHEMBL492297

SCHEMBL492297

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COCC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.42
DPP4 P27487 1/20 0.40
POLB P06746 1/20 0.40
CCL5 P13501 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
HTR6 P50406 1/20 0.37
LMNA P02545 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
SCHEMBL493422 0.93 DPP4 (0.39) PTGIRDPP4POLBCCL5ALDH1A1
SCHEMBL492483 0.93 PTGIR (0.45) PTGIRDPP4ALDH1A1MAPTKMT2A
SCHEMBL492733 0.92 DPP4 (0.44) PTGIRDPP4ALDH1A1MAPTKMT2A
SCHEMBL493304 0.91 PKM (0.44) DPP4POLBCCL5ALDH1A1MAPT
SCHEMBL493406 0.89 POLB (0.40) DPP4POLBCCL5ALDH1A1MAPT
SCHEMBL492946 0.88 DPP4 (0.44) PTGIRDPP4ALDH1A1MAPTKMT2A
SCHEMBL493582 0.86 ALDH1A1 (0.42) DPP4POLBCCL5ALDH1A1MAPT
SCHEMBL493753 0.86 KMT2A (0.45) PTGIRCCL5ALDH1A1MAPTKMT2A
SCHEMBL492931 0.85 CCL5 (0.43) PTGIRCCL5ALDH1A1MAPTKMT2A
SCHEMBL493448 0.85 DPP4 (0.43) DPP4ALDH1A1MAPTKMT2AATM

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 PTGIR 121/4885DPP4 877/4885POLB 2120/4885

“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.