SCHEMBL493222

SCHEMBL493222

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)COCC2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL492926 0.98 HTR7 (0.41) SMN1; SMN2GAAMEN1POLBKMT2A
SCHEMBL493108 0.92 GAA (0.42) SMN1; SMN2GAAMEN1POLBKMT2A
SCHEMBL492796 0.90 HTR7 (0.39) SMN1; SMN2GAAMEN1POLBKMT2A
SCHEMBL492536 0.90 HTR7 (0.38) SMN1; SMN2GAAMEN1POLBKMT2A
SCHEMBL493702 0.89 ALDH1A1 (0.41) SMN1; SMN2GAAMEN1POLBKMT2A
SCHEMBL492589 0.89 NPC1 (0.41) SMN1; SMN2MEN1KMT2AHTR7HTR1A
SCHEMBL492818 0.88 NPC1 (0.49) SMN1; SMN2MEN1POLBKMT2AALDH1A1
SCHEMBL492998 0.88 HTR7 (0.40) SMN1; SMN2MEN1KMT2AHTR7HTR1A
SCHEMBL493112 0.86 NPC1 (0.46) MEN1POLBKMT2ALMNATSHR
SCHEMBL493186 0.84 PSEN1 (0.45) SMN1; SMN2GAAMEN1POLBKMT2A

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 SMN1; SMN2 1729/4885GAA 445/4885MEN1 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.