SCHEMBL492822

SCHEMBL492822

CN(C)C(c1ccccc1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
CCR5 P51681 3/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL492945 0.96 LMNA (0.41) LMNAALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL493526 0.94 CCR5 (0.43) LMNAALDH1A1HTTCCR5HPGD
SCHEMBL493268 0.92 LMNA (0.38) LMNAALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL492794 0.91 ALDH1A1 (0.40) LMNAALDH1A1HTTCCR5KMT2A
SCHEMBL492711 0.91 KMT2A (0.43) LMNAALDH1A1HTTKMT2AMEN1
SCHEMBL492817 0.91 CAMK2A (0.40) LMNAALDH1A1HTTCCR5KMT2A
SCHEMBL492656 0.89 L3MBTL1 (0.44) LMNAALDH1A1HTTCCR5SMN1; SMN2
SCHEMBL493139 0.89 HPGD (0.36) LMNAALDH1A1HTTCCR5HPGD
SCHEMBL493439 0.89 L3MBTL1 (0.44) LMNAKMT2ASMN1; SMN2
SCHEMBL492544 0.88 PTGIR (0.41) LMNAALDH1A1HTTHPGDKMT2A

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 LMNA 2485/4885ALDH1A1 1349/4885HTT 3541/4885

“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.