SCHEMBL784806

SCHEMBL784806

COC(=O)c1ccc2c(c1)CC[C@H]2NC(=O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.58
TAS1R1 Q7RTX1 10/20 0.58
TAS1R2 Q8TE23 7/20 0.58
ALDH1A1 P00352 1/20 0.58
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
SPTLC2 O15270 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
WDR5 P61964 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
KCNA5 P22460 1/20 0.46

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
SCHEMBL2820511 1.00 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL784805 1.00 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL803549 0.91 ALDH1A1 (0.58) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL784965 0.91 ALDH1A1 (0.58) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL484334 0.91 ALDH1A1 (0.58) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL785296 0.87 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL2815355 0.87 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL785412 0.87 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL13131205 0.85 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL15226782 0.85 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A

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 17 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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN TAS1R3 339/4885TAS1R1 107/4885TAS1R2 282/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TAS1R3 339/4885TAS1R1 107/4885TAS1R2 282/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TAS1R3 202/4885TAS1R1 75/4885TAS1R2 163/4885

“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.