SCHEMBL16040909

SCHEMBL16040909

Cc1ccc(N2CCCC2)c(C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HCRTR2 O43614 3/20 0.42
HCRTR1 O43613 2/20 0.42
NCF1 P14598 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KMO O15229 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
GBA1 P04062 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL16040183 0.87 HTR3A (0.45) KDM4EHSD17B10GAAALDH1A1NCF1
SCHEMBL16039735 0.86 ALDH1A1 (0.48) KDM4EHSD17B10TDP1L3MBTL1POLB
SCHEMBL17478816 0.80 ALDH1A1 (0.53) KDM4EHSD17B10GAATDP1L3MBTL1
SCHEMBL16040403 0.79 CKS1B (0.49) ALDH1A1GBA1SMN1; SMN2KMT2AMEN1
SCHEMBL17479576 0.79 ALDH1A1 (0.48) KDM4EHSD17B10GAATDP1L3MBTL1
SCHEMBL17479670 0.76 KDM4E (0.40) KDM4EHSD17B10GAATDP1L3MBTL1
SCHEMBL29912154 0.75 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL261755 0.75 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL2492982 0.75 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HCRTR2HCRTR1
SCHEMBL28825836 0.74 NCF1 (0.45) KDM4EGAATDP1ALDH1A1NCF1

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 10 patents. 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-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
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-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 KDM4E 933/4885HSD17B10 2910/4885GAA 2057/4885
US-20150328224-A1 SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R KDM4E 1382/4885HSD17B10 2083/4885GAA 3167/4885
US-20160376280-A1 Substituted 7-Azabicycles And Their Use As Orexin Receptor Modulators HCRTR2, HCRTR1, NPY5R KDM4E 1287/4885HSD17B10 2131/4885GAA 3307/4885
US-20140275065-A1 SUBSTITUTED 7-AZABICYLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY5R KDM4E 1549/4885HSD17B10 2025/4885GAA 2958/4885

“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.