SCHEMBL16041105

SCHEMBL16041105

Cc1ccc(-c2ncccc2C)c(C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MYC P01106 1/20 0.41
TRPV1 Q8NER1 2/20 0.39
SMO Q99835 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2A6 P11509 1/20 0.38
TGFBR1 P36897 2/20 0.38
CYP1A2 P05177 1/20 0.37
HCRTR1 O43613 1/20 0.36

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
SCHEMBL16040561 0.84 L3MBTL1 (0.48) HCRTR2KDM4EALDH1A1ALOX15NPSR1
SCHEMBL3389125 0.83 KDM4E (0.49) HCRTR2KDM4ETDP1MAPTALDH1A1
SCHEMBL264270 0.81 HCRTR2 (0.50) HCRTR2KDM4EMAPTALDH1A1CYP3A4
SCHEMBL30775045 0.81 HCRTR2 (0.50) HCRTR2KDM4EMAPTALDH1A1CYP3A4
Lithium SCHEMBL607039 0.80 HCRTR2 (0.49) HCRTR2KDM4EMAPTALDH1A1CYP3A4
SCHEMBL607037 0.80 HCRTR2 (0.49) HCRTR2KDM4EMAPTALDH1A1CYP3A4
SCHEMBL3385678 0.77 KDM4E (0.48) HCRTR2KDM4EALDH1A1L3MBTL1HCRTR1
SCHEMBL30775055 0.77 KDM4E (0.48) HCRTR2KDM4EALDH1A1L3MBTL1HCRTR1
SCHEMBL2472468 0.74 CYP2A6 (0.53) KDM4EALDH1A1CYP3A4CYP2A6NPC1
SCHEMBL31372554 0.74 CYP2A6 (0.53) KDM4EALDH1A1CYP3A4CYP2A6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209468-B Substitution 7 Azabicyclic compounds and they as orexin receptor conditioning agent purposes 詹森药业有限公司 2017-09-08 CN disclosed
US-9695183-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-9695183-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
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-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-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-9475819-B2 Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-25 US disclosed
CN-105209468-A Substituted 7-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed
US-20150328224-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-11-19 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-9062078-B2 Substituted 7-azabicyles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-9062078-B2 Substituted 7-azabicyles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
WO-2014159591-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-02 WO disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 US disclosed
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-09-18 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 (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-20150328224-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885KDM4E 1382/4885TDP1 4705/4885
US-20160376280-A1 Substituted 7-Azabicycles And Their Use As Orexin Receptor Modulators HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885KDM4E 1287/4885TDP1 4722/4885
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885KDM4E 1549/4885TDP1 4745/4885

“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.