SCHEMBL492793

SCHEMBL492793

CN(C)C(c1ccc(F)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 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
CACNA1B Q00975 3/20 0.41
RORC P51449 2/20 0.41
TRPA1 O75762 5/20 0.40
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTR6 P50406 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL493254 0.94 GAA (0.44) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493977 0.94 CCR2 (0.43) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493189 0.94 GAA (0.42) GAAHPGDKMT2ATP53CACNA1B
SCHEMBL493509 0.94 GAA (0.42) GAAHPGDKMT2ATP53CACNA1B
SCHEMBL493042 0.90 HTT (0.45) GAAHPGDKMT2ATP53CACNA1B
SCHEMBL492609 0.90 ALDH1A1 (0.48) HPGDKMT2AMAPTALDH1A1TSHR
SCHEMBL493451 0.89 KMT2A (0.45) KMT2ATP53TRPA1MAPTALDH1A1
SCHEMBL492160 0.88 GAA (0.42) GAAHPGDKMT2ATP53CACNA1B
SCHEMBL492932 0.88 GAA (0.42) GAAHPGDKMT2ACACNA1BRORC
SCHEMBL493390 0.87 ALDH1A1 (0.46) HPGDKMT2ATRPA1MAPTALDH1A1

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 GAA 445/4885HPGD 213/4885KMT2A 1749/4885

“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.