SCHEMBL492756

SCHEMBL492756

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 2/20 0.36
EPHX2 P34913 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.34
CNR2 P34972 1/20 0.34
ENPP2 Q13822 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCL5 P13501 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
FAAH O00519 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL492801 0.93 TRPV4 (0.38) TRPV4PTGDR2LMNAEPHX2KMT2A
SCHEMBL493220 0.92 TRPV4 (0.40) TRPV4PTGDR2LMNAEPHX2KMT2A
SCHEMBL492460 0.92 KMT2A (0.40) TRPV4EPHX2KMT2AMEN1CYP2C9
SCHEMBL492941 0.91 KMT2A (0.42) LMNAKMT2AMEN1CCL5SMN1; SMN2
SCHEMBL493009 0.90 EPHX2 (0.40) TRPV4PTGDR2LMNAEPHX2KMT2A
SCHEMBL492510 0.87 ALDH1A1 (0.41) PTGDR2KMT2AMEN1CCL5
SCHEMBL493582 0.87 ALDH1A1 (0.42) KMT2AMEN1CCL5SMN1; SMN2TP53
SCHEMBL493423 0.86 CCL5 (0.38) KMT2AMEN1CCL5TP53
SCHEMBL493091 0.85 TRPV4 (0.39) TRPV4PTGDR2LMNAEPHX2KMT2A
SCHEMBL493249 0.85 EPHX2 (0.42) EPHX2KMT2AMEN1

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 TRPV4 217/4885PTGDR2 135/4885HTR7 1873/4885

“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.