SCHEMBL493554

SCHEMBL493554

CC(=O)OC(C(=O)NCC1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
UTS2R Q9UKP6 4/20 0.41
KLK7 P49862 3/20 0.41
PTGIR P43119 2/20 0.40
GPR88 Q9GZN0 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 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
SCHEMBL1326645 0.88 CNR1 (0.49) SMN1; SMN2PTGIRNPC1RAB9A
SCHEMBL492809 0.83 POLB (0.47) SMN1; SMN2PTGIRGPR88ALDH1A1
SCHEMBL2308011 0.81 CNR2 (0.50) SMN1; SMN2UTS2RNPC1RAB9ALMNA
SCHEMBL493552 0.81 TSHR (0.43) TSHRUTS2RKLK7LMNAALDH1A1
SCHEMBL28807443 0.80 PTGIR (0.46) TSHRPTGIRCYP3A4
SCHEMBL1326835 0.78 P2RX7 (0.52) NPC1RAB9AALDH1A1
SCHEMBL2307388 0.78 SMN1; SMN2 (0.41) SMN1; SMN2PTGIRNPC1RAB9A
SCHEMBL2305686 0.78 PTGIR (0.43) TSHRPTGIRGPR88ALDH1A1CYP3A4
SCHEMBL1327847 0.78 POLB (0.47) SMN1; SMN2PTGIRGPR88LMNAALDH1A1
SCHEMBL493195 0.77 GAA (0.46) TSHRSMN1; SMN2PTGIRGPR88NPC1

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 4051/4885SMN1; SMN2 1729/4885UTS2R 3723/4885

“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.