SCHEMBL493346

SCHEMBL493346

Cc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGIR P43119 5/20 0.36
OPRL1 P41146 2/20 0.35
OPRM1 P35372 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRD1 P41143 1/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 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
SCHEMBL493251 0.95 HTR6 (0.38) HTR6SMN1; SMN2MEN1POLBKMT2A
SCHEMBL493579 0.93 CXCR3 (0.38) HTR6KMT2APTGIROPRL1ALDH1A1
SCHEMBL492803 0.92 SMN1; SMN2 (0.36) HTR6SMN1; SMN2MEN1POLBKMT2A
SCHEMBL492885 0.92 ALDH1A1 (0.40) HTR6SMN1; SMN2KMT2APTGIRALDH1A1
SCHEMBL493378 0.91 KMT2A (0.43) SMN1; SMN2MEN1POLBKMT2APTGIR
SCHEMBL493168 0.90 CXCR3 (0.41) HTR6SMN1; SMN2PTGIROPRM1LMNA
SCHEMBL492806 0.90 PTGIR (0.41) SMN1; SMN2MEN1KMT2APTGIRALDH1A1
SCHEMBL493314 0.88 LMNA (0.39) HTR6SMN1; SMN2KMT2APTGIROPRL1
SCHEMBL492544 0.88 PTGIR (0.41) SMN1; SMN2MEN1POLBKMT2APTGIR
SCHEMBL493166 0.88 KMT2A (0.37) HTR6SMN1; SMN2MEN1POLBKMT2A

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 HTR6 2114/4885SMN1; SMN2 1729/4885MEN1 4132/4885

“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.