SCHEMBL803745

SCHEMBL803745

COC(=O)c1ccc2c(c1)[C@H](N1Cc3cccc(Cl)c3C1=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MAPT P10636 2/20 0.41
MTNR1B P49286 2/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CTSD P07339 1/20 0.37
FKBP1A P62942 1/20 0.37
KLKB1 P03952 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL2819046 1.00 HSP90AA1 (0.41) HSP90AA1HSP90AB1MAPTMTNR1BALOX15
SCHEMBL2819048 1.00 HSP90AA1 (0.41) HSP90AA1HSP90AB1MAPTMTNR1BALOX15
SCHEMBL484526 0.94 MAPT (0.40) HSP90AA1HSP90AB1MAPTMTNR1BL3MBTL1
SCHEMBL785796 0.94 MAPT (0.40) HSP90AA1HSP90AB1MAPTMTNR1BL3MBTL1
SCHEMBL2822029 0.88 MAPT (0.41) MAPTMTNR1BALDH1A1CTSDTAS1R3
SCHEMBL785475 0.88 MAPT (0.41) MAPTMTNR1BALDH1A1CTSDTAS1R3
SCHEMBL484776 0.88 MAPT (0.41) MAPTMTNR1BALDH1A1CTSDTAS1R3
SCHEMBL2820739 0.87 MAPT (0.40) HSP90AA1HSP90AB1MAPTL3MBTL1ALDH1A1
SCHEMBL2816793 0.87 MAPT (0.40) HSP90AA1HSP90AB1MAPTL3MBTL1ALDH1A1
SCHEMBL803744 0.87 MAPT (0.40) HSP90AA1HSP90AB1MAPTL3MBTL1ALDH1A1

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 12 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-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
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-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

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 HSP90AA1 1459/4885HSP90AB1 1446/4885MAPT 4634/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSP90AA1 1459/4885HSP90AB1 1446/4885MAPT 4634/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HSP90AA1 2767/4885HSP90AB1 2082/4885MAPT 3149/4885

“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.