SCHEMBL493643

SCHEMBL493643

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
PTGIR P43119 1/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA9 Q16790 3/20 0.38
RORC P51449 2/20 0.37
CYP2D6 P10635 1/20 0.37
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.36
CXCR3 P49682 1/20 0.35
CCR5 P51681 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 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
SCHEMBL492988 0.87 LMNA (0.44) NPSR1PTGIRLMNAGAASMN1; SMN2
SCHEMBL492804 0.87 HTT (0.41) NPSR1PTGIRLMNAGAAKMT2A
SCHEMBL493075 0.86 CXCR3 (0.51) LMNAGAACXCR3KDM4EALDH1A1
SCHEMBL493602 0.86 MAPT (0.43) NPSR1PTGIRLMNAKMT2ACXCR3
SCHEMBL493295 0.85 PDE4D (0.42) GAASMN1; SMN2KMT2ACXCR3ALDH1A1
SCHEMBL492852 0.85 CXCR3 (0.46) PTGIRLMNAGAAKMT2ACXCR3
SCHEMBL493549 0.84 CXCR3 (0.49) PTGIRLMNAKMT2ACXCR3ALDH1A1
SCHEMBL493317 0.84 BDKRB1 (0.40) PTGIRLMNAKMT2ACXCR3ALDH1A1
SCHEMBL493019 0.83 CXCR3 (0.46) LMNAKMT2ACXCR3
SCHEMBL492800 0.83 PTGIR (0.38) NPSR1PTGIRLMNAGAASMN1; SMN2

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 NPSR1 371/4885PTGIR 121/4885LMNA 2485/4885

“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.