SCHEMBL189266

SCHEMBL189266

CCOC(=O)CCCOc1cc[c]cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
LTA4H P09960 6/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
FAAH O00519 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDK2 Q15119 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4457893 0.92 LTA4H (0.48) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL5541479 0.86 DGKA (0.53) TSHR
SCHEMBL3170416 0.83 MAPT (0.48) LTA4HMAPTL3MBTL1TSHR
SCHEMBL6937314 0.83 MEN1 (0.62) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL767042 0.83 TDP1 (0.62) CYSLTR2CYSLTR1LTA4HMAPTSMN1; SMN2
SCHEMBL8981963 0.82 BRD4 (0.56) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL3466988 0.82 CYSLTR2 (0.59) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL3170001 0.82 BRD4 (0.50) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL1444267 0.81 GAA (0.61) MAPTSMN1; SMN2GAAKDM4EPOLB
SCHEMBL6328916 0.81 MAPT (0.55) BRD4CYSLTR2CYSLTR1LTA4HMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266835-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US claimed
WO-2015130444-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO claimed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 US disclosed
US-9266835-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2015130444-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
WO-2015130445-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
CN-1809570-B [1,2,4] triazolo [1,5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK 2011-06-22 CN disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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 (4 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO BRD4 2327/4885CYSLTR2 2247/4885CYSLTR1 1926/4885
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 BRD4 215/4885CYSLTR2 786/4885CYSLTR1 354/4885
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 BRD4 2471/4885CYSLTR2 228/4885CYSLTR1 111/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK BRD4 1149/4885CYSLTR2 2546/4885CYSLTR1 2336/4885

“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.