SCHEMBL492948

SCHEMBL492948

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ESR2 Q92731 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BDKRB1 P46663 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATF4 P18848 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL493560 0.93 BDKRB1 (0.40) LMNANPC1RAB9AHPGDNPSR1
SCHEMBL492815 0.92 BDKRB1 (0.36) GAAALDH1A1KDM4EGLAPOLB
SCHEMBL493098 0.91 OPRL1 (0.38) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL492534 0.91 LMNA (0.37) LMNANPC1RAB9AGAAALDH1A1
SCHEMBL493506 0.89 PTGIR (0.35) NPC1HPGDBDKRB1
SCHEMBL493268 0.89 LMNA (0.38) LMNAALDH1A1POLBSMN1; SMN2ATF4
SCHEMBL493575 0.88 BDKRB1 (0.41) LMNABDKRB1MAPT
SCHEMBL493047 0.88 BDKRB1 (0.37) BDKRB1
SCHEMBL492945 0.87 LMNA (0.41) LMNAALDH1A1POLBSMN1; SMN2PKM
SCHEMBL493265 0.87 BDKRB1 (0.35) LMNAGAAALDH1A1KDM4EGLA

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 2485/4885NPC1 519/4885RAB9A 2004/4885

“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.