SCHEMBL493241

SCHEMBL493241

CC(Oc1ccccc1)C(=O)NC1CCC(C(c2ccc(F)cc2)N(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 2/20 0.45
GRM7 Q14831 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL492811 0.92 TSHR (0.53) TSHRMAPTHTTHPGDMEN1
SCHEMBL493418 0.89 MEN1 (0.50) TSHRMAPTHTTHPGDMEN1
SCHEMBL493717 0.85 GAA (0.43) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL493447 0.83 GAA (0.46) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL493195 0.77 GAA (0.46) TSHRMAPTHPGDALDH1A1MEN1
SCHEMBL1326528 0.76 NPC1 (0.56) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL493096 0.76 LMNA (0.45) HPGDALDH1A1ATMLMNAGAA
SCHEMBL2990248 0.76 TSHR (0.49) TSHRMAPTHTTHPGDALDH1A1
SCHEMBL493440 0.75 TSHR (0.48) TSHRMAPTHTTHPGDALDH1A1
SCHEMBL492546 0.75 GAA (0.50) TSHRMAPTHTTHPGDALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 4051/4885MAPT 1653/4885HTT 3541/4885

“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.