SCHEMBL803449

SCHEMBL803449

CC(C)(C)OC(=O)NC1CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
CTSS P25774 2/20 0.47
TAS1R3 Q7RTX0 4/20 0.45
TAS1R1 Q7RTX1 4/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL784858 0.93 PDE4A (0.45) CTSSTAS1R3TAS1R1
SCHEMBL484634 0.93 PDE4A (0.45) CTSSTAS1R3TAS1R1
SCHEMBL803446 0.89 KMT2A (0.47) HTTCTSSTAS1R3TAS1R1KMT2A
SCHEMBL13131596 0.86 KMT2A (0.44) HTTCTSSTAS1R3TAS1R1KMT2A
SCHEMBL30583628 0.85 HTT (0.44) HTTTAS1R3TAS1R1KMT2AMEN1
SCHEMBL15074697 0.85 LMNA (0.48) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL2804784 0.85 TRPV1 (0.50) HTTCTSSTAS1R3TAS1R1KMT2A
SCHEMBL397521 0.84 NR1H2 (0.42) HTTCTSSTAS1R3TAS1R1KMT2A
SCHEMBL10256440 0.84 LMNA (0.51) HTTCTSSKMT2AMEN1ALDH1A1
SCHEMBL8225460 0.83 PDE4A (0.45) TAS1R3TAS1R1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HTT 2709/4885CTSS 824/4885TAS1R3 202/4885

“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.