SCHEMBL493552

SCHEMBL493552

CC(=O)OC(C(=O)N(C)C1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CCR5 P51681 3/20 0.38
BCL2A1 Q16548 1/20 0.38
UTS2R Q9UKP6 4/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 1/20 0.35
KLK7 P49862 1/20 0.35
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL493554 0.81 TSHR (0.46) TSHRALDH1A1CYP3A4UTS2RLMNA
SCHEMBL27731164 0.76 TSHR (0.48) TSHRALDH1A1CYP3A4LMNAKMT2A
SCHEMBL2308697 0.72 OPRD1 (0.42) ALDH1A1LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL1327469 0.71 OPRD1 (0.41) ALDH1A1LMNAKMT2AMEN1
SCHEMBL1326713 0.69 BCL2A1 (0.46) BCL2A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL644438 0.69 BCL2A1 (0.47) ALDH1A1BCL2A1KMT2A
SCHEMBL1326645 0.69 CNR1 (0.49) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL1328131 0.69 OPRM1 (0.50) BCL2A1
SCHEMBL2310772 0.68 TRPM8 (0.46) ALDH1A1CCR5LMNAKLK7
SCHEMBL1326686 0.68 LMNA (0.61) ALDH1A1CCR5UTS2RLMNAKMT2A

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 4051/4885ALDH1A1 1349/4885CYP3A4 465/4885

“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.