SCHEMBL492602

SCHEMBL492602

CN(C)C(c1ccc(Cl)cc1)C1CCC(CCNC(=O)COCCNS(=O)(=O)c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.37
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CHRM4 P08173 3/20 0.33
SLC9A3 P48764 1/20 0.33
SGMS1 Q86VZ5 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.32
ACHE P22303 3/20 0.32
BCHE P06276 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL492654 0.93 FAAH (0.38) PTGIRALDH1A1LMNASLC9A3SGMS1
SCHEMBL492259 0.93 SGMS1 (0.33) CHRM4SGMS1MEN1KMT2AHTT
SCHEMBL492939 0.88 PTGIR (0.39) PTGIRALDH1A1LMNAMEN1KMT2A
SCHEMBL492995 0.88 OPRL1 (0.35) PTGIRCHRM4SGMS1MEN1KMT2A
SCHEMBL492679 0.86 ALDH1A1 (0.34) ALDH1A1LMNACHRM4ACHEBCHE
SCHEMBL492240 0.86 PTGIR (0.36) PTGIRALDH1A1SLC9A3SGMS1MEN1
SCHEMBL493050 0.83 RAB9A (0.37) KMT2A
SCHEMBL493002 0.82 PTGIR (0.41) PTGIRCHRM4MEN1KMT2AACHE
SCHEMBL492676 0.81 CNR1 (0.35) LMNA
SCHEMBL493355 0.81 PTGIR (0.37) PTGIRALDH1A1SLC9A3SGMS1KMT2A

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 121/4885ALDH1A1 1349/4885LMNA 2485/4885

“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.