SCHEMBL14853404

SCHEMBL14853404

CCN(CC)C1CCN(c2ccc(C)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
GPR119 Q8TDV5 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
DHFR P00374 1/20 0.41
JAK2 O60674 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MCHR1 Q99705 2/20 0.39
MAP4K4 O95819 2/20 0.39
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A9 P48067 2/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL15652273 0.85 MAP4K4 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10263545 0.85 MCHR1 (0.46) GPR119HRH3MCHR1MAP4K4TLR7
SCHEMBL12951110 0.84 MAP4K4 (0.51) PDE10AGPR119JAK2HRH3MCHR1
SCHEMBL82503 0.83 KCNH2 (0.40) GPR119JAK2HRH3MCHR1MAP4K4
SCHEMBL10203152 0.83 CYP3A4 (0.43) GPR119HRH3MCHR1
SCHEMBL15382211 0.82 HRH3 (0.43) PDE10AGPR119HRH3MCHR1MAP4K4
SCHEMBL13368426 0.81 HRH3 (0.42) GPR119HRH3MCHR1
SCHEMBL12309845 0.80 TACR3 (0.44) PDE10AGPR119HRH3MCHR1SLC6A9
SCHEMBL14924501 0.78 GPR119 (0.51) PDE10AGPR119GRIN2DGRIN3BGRIN1
SCHEMBL12354700 0.77 HRH3 (0.43) PDE10AGPR119JAK2HRH3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074115-B1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2018-03-07 EP disclosed
US-9650391-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS INC. (US) 2017-05-16 US disclosed
US-9156820-B2 Polycyclic heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-8796259-B2 N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8741898-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 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 (2 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-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 PDE10A 3671/4885GPR119 208/4885GRIN2D 3686/4885
US-20130090330-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 PDE10A 3265/4885GPR119 270/4885GRIN2D 2606/4885

“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.