SCHEMBL3056563

SCHEMBL3056563

FC(F)(F)c1ccc(C2=NCCc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
KIF11 P52732 2/20 0.43
MAOA P21397 1/20 0.41
MAPK10 P53779 3/20 0.41
NISCH Q9Y2I1 1/20 0.41
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 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
SCHEMBL28244146 0.84 KIF11 (0.49) NPSR1KIF11MAPK10CHRM1ALDH1A1
SCHEMBL11269191 0.82 MAPK10 (0.55) NOS3NOS2MAOAMAPK10ALDH1A1
SCHEMBL29498359 0.82 MAPK10 (0.55) NOS3NOS2MAOAMAPK10ALDH1A1
SCHEMBL29498358 0.82 MAPK10 (0.55) NOS3NOS2MAOAMAPK10ALDH1A1
SCHEMBL29384557 0.81 MAPK10 (0.55) NOS3NOS2MAOAMAPK10ALDH1A1
SCHEMBL163051 0.81 MAPK10 (0.55) NOS3NOS2MAOAMAPK10ALDH1A1
SCHEMBL3961810 0.81 KIF11 (0.46) KIF11NISCHALDH1A1LMNA
SCHEMBL7885726 0.81 NISCH (0.44) NOS3NOS2MAOAMAPK10NISCH
SCHEMBL3073686 0.81 MAPK10 (0.51) MAPK10NISCHALDH1A1LMNACA1
SCHEMBL3066116 0.81 MAPK10 (0.48) MAPK10NISCHALDH1A1LMNACA1

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-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
WO-2009073203-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2009-06-11 WO disclosed
WO-2009073203-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2009-06-11 WO 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 (1 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-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPM8, TRPV2 NOS3 707/4885NOS2 625/4885NPSR1 283/4885

“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.