SCHEMBL16039735

SCHEMBL16039735

Cc1ccc(N2CCOCC2)c(C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NCF1 P14598 1/20 0.47
XDH P47989 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL16040909 0.86 KDM4E (0.43) ALDH1A1POLBL3MBTL1KDM4ETDP1
SCHEMBL16040183 0.83 HTR3A (0.45) ALDH1A1KDM4ENCF1XDHHSD17B10
SCHEMBL16114995 0.81 HCRTR2 (0.47) ALDH1A1HTT
SCHEMBL18395148 0.76 PKM (0.47) ALDH1A1POLBL3MBTL1KDM4ETDP1
SCHEMBL16040403 0.75 CKS1B (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5480998 0.74 POLB (0.62) ALDH1A1POLBL3MBTL1KDM4EPIK3CA
SCHEMBL11895982 0.73 GAA (0.44) ALDH1A1POLBL3MBTL1KDM4ETDP1
SCHEMBL20580033 0.72 PKM (0.53) ALDH1A1POLBL3MBTL1KDM4ETDP1
SCHEMBL16517471 0.72 POLB (0.48) ALDH1A1POLBL3MBTL1KDM4ETDP1
SCHEMBL29912154 0.71 HCRTR2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695183-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-9637496-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 US disclosed
US-20160376280-A1 Substituted 7-Azabicycles And Their Use As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-29 US disclosed
US-9475819-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-25 US disclosed
US-20160046640-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US disclosed
US-20150328224-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-11-19 US disclosed
US-9062078-B2 Substituted 7-azabicyles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 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 (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-20160046640-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, HTR7 ALDH1A1 1190/4885POLB 4339/4885L3MBTL1 4584/4885
US-20150328224-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R ALDH1A1 984/4885POLB 4494/4885L3MBTL1 4852/4885
US-20160376280-A1 Substituted 7-Azabicycles And Their Use As Orexin Receptor Modulators HCRTR2, HCRTR1, NPY5R ALDH1A1 912/4885POLB 4564/4885L3MBTL1 4842/4885
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R ALDH1A1 952/4885POLB 4541/4885L3MBTL1 4830/4885

“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.