SCHEMBL493091

SCHEMBL493091

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
EPHX2 P34913 4/20 0.36
KMT2A Q03164 3/20 0.35
GPR119 Q8TDV5 1/20 0.34
ADAMTS4 O75173 2/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL493220 0.93 TRPV4 (0.40) TRPV4PTGDR2EPHX2KMT2AMAPT
SCHEMBL492801 0.93 TRPV4 (0.38) TRPV4PTGDR2EPHX2KMT2AGPR119
SCHEMBL492813 0.90 KMT2A (0.41) KMT2AGPR119MAPTLMNAMEN1
SCHEMBL493352 0.90 KMT2A (0.41) KMT2AGPR119MAPTLMNAMEN1
SCHEMBL493301 0.89 LMNA (0.43) TRPV4PTGDR2EPHX2KMT2AMAPT
SCHEMBL493876 0.88 KMT2A (0.44) KMT2AGPR119MAPTMEN1HTR2A
SCHEMBL492964 0.86 ALDH1A1 (0.36) TRPV4EPHX2ATMMAOAACHE
SCHEMBL492460 0.86 KMT2A (0.40) TRPV4EPHX2KMT2AMAPTMEN1
SCHEMBL492619 0.86 ALDH1A1 (0.41) KMT2AGPR119MAPTMEN1ATM
SCHEMBL492756 0.85 TRPV4 (0.39) TRPV4PTGDR2EPHX2KMT2AADAMTS4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 135/4885EPHX2 2567/4885

“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.