SCHEMBL492917

SCHEMBL492917

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.42
CCR2 P41597 7/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CACNA1B Q00975 5/20 0.37
OPRL1 P41146 1/20 0.37
APEX1 P27695 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL493164 0.93 LMNA (0.46) LMNAGAASMN1; SMN2NPSR1CCR2
SCHEMBL492626 0.93 LMNA (0.53) LMNAGAASMN1; SMN2NPSR1CCR2
SCHEMBL493314 0.90 LMNA (0.39) LMNAGAASMN1; SMN2NPSR1CACNA1B
SCHEMBL493170 0.89 LMNA (0.39) LMNAGAASMN1; SMN2NPSR1CCR2
SCHEMBL492973 0.87 L3MBTL1 (0.42) LMNAGAASMN1; SMN2HTTOPRL1
SCHEMBL493055 0.87 OPRL1 (0.39) LMNASMN1; SMN2HTTOPRL1
SCHEMBL492490 0.87 MAPT (0.39) GAASMN1; SMN2POLBHTTOPRL1
SCHEMBL492686 0.86 ALDH1A1 (0.41) LMNAGAASMN1; SMN2POLBHTT
SCHEMBL492835 0.86 LMNA (0.43) LMNAGAASMN1; SMN2NPSR1CCR2
SCHEMBL492545 0.85 BDKRB1 (0.39) LMNAGAANPSR1OPRL1

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 LMNA 2485/4885GAA 445/4885SMN1; SMN2 1729/4885

“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.