SCHEMBL493977

SCHEMBL493977

CN(C)C(c1ccc(Cl)cc1)C1CCC(CNC(=O)COC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.42
CACNA1B Q00975 3/20 0.40
RORC P51449 3/20 0.40
GRM5 P41594 1/20 0.38
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
OPRK1 P41145 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 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
SCHEMBL492932 0.94 GAA (0.42) CCR2GAAHPGDKMT2ACACNA1B
SCHEMBL492793 0.94 GAA (0.43) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493254 0.94 GAA (0.44) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493189 0.90 GAA (0.42) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL492707 0.89 KMT2A (0.46) CCR2KMT2AL3MBTL1
SCHEMBL493381 0.88 KMT2A (0.44) GAAKMT2A
SCHEMBL493509 0.88 GAA (0.42) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL492160 0.87 GAA (0.42) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL492911 0.86 KMT2A (0.42) KMT2A
SCHEMBL492470 0.86 KMT2A (0.42) KMT2A

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 3925/4885GAA 445/4885HPGD 213/4885

“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.