SCHEMBL16040561

SCHEMBL16040561

COC(=O)c1nc(C)ccc1-c1ncccc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
HCRTR2 O43614 1/20 0.43
S1PR4 O95977 1/20 0.41
SMO Q99835 4/20 0.40
TDP2 O95551 1/20 0.40
TRPV1 Q8NER1 4/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAP2K1 Q02750 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
SCHEMBL30775035 0.85 L3MBTL1 (0.53) L3MBTL1SMOTDP2TRPV1KDM4E
SCHEMBL16041105 0.84 HCRTR2 (0.43) L3MBTL1HCRTR2SMOTRPV1KDM4E
SCHEMBL30775080 0.82 L3MBTL1 (0.49) L3MBTL1HCRTR2S1PR4ALOX15HTT
SCHEMBL607604 0.82 L3MBTL1 (0.49) L3MBTL1HCRTR2S1PR4ALOX15HTT
SCHEMBL30775039 0.79 L3MBTL1 (0.46) L3MBTL1HCRTR2S1PR4KDM4EALDH1A1
SCHEMBL20773709 0.79 L3MBTL1 (0.46) L3MBTL1HCRTR2S1PR4KDM4EALDH1A1
SCHEMBL31347575 0.75 L3MBTL1 (0.62) L3MBTL1KDM4EPOLBALOX15HTT
SCHEMBL128711 0.75 L3MBTL1 (0.62) L3MBTL1KDM4EPOLBALOX15HTT
SCHEMBL15058045 0.75 ALDH1A1 (0.49) L3MBTL1KDM4EHTTALDH1A1HPGD
SCHEMBL2372967 0.73 NPSR1 (0.52) L3MBTL1S1PR4KDM4EALDH1A1HPGD

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 L3MBTL1 4584/4885HCRTR2 1/4885S1PR4 775/4885
US-20150328224-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R L3MBTL1 4852/4885HCRTR2 1/4885S1PR4 534/4885
US-20160376280-A1 Substituted 7-Azabicycles And Their Use As Orexin Receptor Modulators HCRTR2, HCRTR1, NPY5R L3MBTL1 4842/4885HCRTR2 1/4885S1PR4 519/4885
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R L3MBTL1 4830/4885HCRTR2 1/4885S1PR4 589/4885

“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.