SCHEMBL484334

SCHEMBL484334

COC(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
TAS1R3 Q7RTX0 7/20 0.56
TAS1R1 Q7RTX1 7/20 0.56
TAS1R2 Q8TE23 6/20 0.56
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 1/20 0.49
WDR5 P61964 1/20 0.48
SPTLC2 O15270 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL784965 1.00 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL803549 1.00 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL803557 0.94 ALDH1A1 (0.68) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2819919 0.94 ALDH1A1 (0.68) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL13131606 0.93 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL13131205 0.91 TAS1R3 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL15226782 0.91 TAS1R3 (0.54) ALDH1A1TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL2820511 0.91 TAS1R3 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL784806 0.91 TAS1R3 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL784805 0.91 TAS1R3 (0.58) ALDH1A1TAS1R3TAS1R1TAS1R2PDE4A

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 22 patents — showing the first 20. 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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP 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
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
CN-102365276-A Substituted spiro-amide compounds GRUENENTHAL GMBH 2012-02-29 CN disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP 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
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (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 ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TAS1R3 339/4885TAS1R1 107/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885TAS1R3 202/4885TAS1R1 75/4885

“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.