SCHEMBL493499

SCHEMBL493499

CN(C)C(c1ccc(Cl)cc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.40
GRM5 P41594 1/20 0.39
PTGIR P43119 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RORC P51449 2/20 0.36
PPARG P37231 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
CCR5 P51681 1/20 0.35
SLC9A3 P48764 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL493982 0.94 LMNA (0.37) CCR2PTGIRLMNAGAASMN1; SMN2
SCHEMBL492800 0.93 PTGIR (0.38) GRM5PTGIRLMNAGAASMN1; SMN2
SCHEMBL492988 0.93 LMNA (0.44) CCR2GRM5PTGIRLMNAGAA
SCHEMBL493314 0.90 LMNA (0.39) GRM5PTGIRLMNAGAASMN1; SMN2
SCHEMBL493519 0.88 LMNA (0.40) PTGIRLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL493159 0.87 BDKRB1 (0.38) LMNAGAASMN1; SMN2NPSR1KMT2A
SCHEMBL492699 0.86 PTGIR (0.38) CCR2GRM5PTGIRLMNAGAA
SCHEMBL493376 0.86 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL492871 0.86 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL492721 0.85 CXCR3 (0.43) PTGIRLMNAALDH1A1KMT2A

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 CCR2 3925/4885GRM5 1566/4885PTGIR 121/4885

“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.